(2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-3-methylbutanoic acid;(2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-4-methylpentanoic acid;3-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]propanoic acid;2-[(4-hydroxy-7-methyl-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid;methyl 2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetate

C89H98N10O30 — CID 159482015

IUPAC(2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-3-methylbutanoic acid;(2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-4-methylpentanoic acid;3-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]propanoic acid;2-[(4-hydroxy-7-methyl-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid;methyl 2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetate
SMILESC=CCOn1c(=O)c(C(=O)NCC(=O)O)c(O)c2ccc(C)cc21.CC(C)C[C@H](NC(=O)c1c(O)c2ccccc2n(OCC2CC2)c1=O)C(=O)O.CC(C)[C@H](NC(=O)c1c(O)c2ccccc2n(OCC2CC2)c1=O)C(=O)O.COC(=O)CNC(=O)c1c(O)c2ccccc2n(OCC2CC2)c1=O.O=C(O)CCNC(=O)c1c(O)c2ccccc2n(OCC2CC2)c1=O
InChIInChI=1S/C20H24N2O6.C19H22N2O6.2C17H18N2O6.C16H16N2O6/c1-11(2)9-14(20(26)27)21-18(24)16-17(23)13-5-3-4-6-15(13)22(19(16)25)28-10-12-7-8-12;1-10(2)15(19(25)26)20-17(23)14-16(22)12-5-3-4-6-13(12)21(18(14)24)27-9-11-7-8-11;1-24-13(20)8-18-16(22)14-15(21)11-4-2-3-5-12(11)19(17(14)23)25-9-10-6-7-10;20-13(21)7-8-18-16(23)14-15(22)11-3-1-2-4-12(11)19(17(14)24)25-9-10-5-6-10;1-3-6-24-18-11-7-9(2)4-5-10(11)14(21)13(16(18)23)15(22)17-8-12(19)20/h3-6,11-12,14,23H,7-10H2,1-2H3,(H,21,24)(H,26,27);3-6,10-11,15,22H,7-9H2,1-2H3,(H,20,23)(H,25,26);2-5,10,21H,6-9H2,1H3,(H,18,22);1-4,10,22H,5-9H2,(H,18,23)(H,20,21);3-5,7,21H,1,6,8H2,2H3,(H,17,22)(H,19,20)/t14-;15-;;;/m00.../s1
InChIKeyLXCSGYCJQBHYNL-NYWMJISJSA-N
MW1787.80 g/mol
LogP4.80
Rot. Bonds34

About (2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-3-methylbutanoic acid;(2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-4-methylpentanoic acid;3-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]propanoic acid;2-[(4-hydroxy-7-methyl-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid;methyl 2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetate

(2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-3-methylbutanoic acid;(2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-4-methylpentanoic acid;3-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]propanoic acid;2-[(4-hydroxy-7-methyl-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid;methyl 2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetate (PubChem CID 159482015) has the molecular formula C89H98N10O30 and a molecular weight of 1787.80 g/mol. Its IUPAC name is (2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-3-methylbutanoic acid;(2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-4-methylpentanoic acid;3-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]propanoic acid;2-[(4-hydroxy-7-methyl-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid;methyl 2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetate.

Molecular Properties

Compound Name(2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-3-methylbutanoic acid;(2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-4-methylpentanoic acid;3-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]propanoic acid;2-[(4-hydroxy-7-methyl-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid;methyl 2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetate
PubChem CID159482015
Molecular FormulaC89H98N10O30
Molecular Weight1787.80 g/mol
Exact Mass1786.65
IUPAC Name(2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-3-methylbutanoic acid;(2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-4-methylpentanoic acid;3-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]propanoic acid;2-[(4-hydroxy-7-methyl-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid;methyl 2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetate
SMILESC=CCOn1c(=O)c(C(=O)NCC(=O)O)c(O)c2ccc(C)cc21.CC(C)C[C@H](NC(=O)c1c(O)c2ccccc2n(OCC2CC2)c1=O)C(=O)O.CC(C)[C@H](NC(=O)c1c(O)c2ccccc2n(OCC2CC2)c1=O)C(=O)O.COC(=O)CNC(=O)c1c(O)c2ccccc2n(OCC2CC2)c1=O.O=C(O)CCNC(=O)c1c(O)c2ccccc2n(OCC2CC2)c1=O
InChIInChI=1S/C20H24N2O6.C19H22N2O6.2C17H18N2O6.C16H16N2O6/c1-11(2)9-14(20(26)27)21-18(24)16-17(23)13-5-3-4-6-15(13)22(19(16)25)28-10-12-7-8-12;1-10(2)15(19(25)26)20-17(23)14-16(22)12-5-3-4-6-13(12)21(18(14)24)27-9-11-7-8-11;1-24-13(20)8-18-16(22)14-15(21)11-4-2-3-5-12(11)19(17(14)23)25-9-10-6-7-10;20-13(21)7-8-18-16(23)14-15(22)11-3-1-2-4-12(11)19(17(14)24)25-9-10-5-6-10;1-3-6-24-18-11-7-9(2)4-5-10(11)14(21)13(16(18)23)15(22)17-8-12(19)20/h3-6,11-12,14,23H,7-10H2,1-2H3,(H,21,24)(H,26,27);3-6,10-11,15,22H,7-9H2,1-2H3,(H,20,23)(H,25,26);2-5,10,21H,6-9H2,1H3,(H,18,22);1-4,10,22H,5-9H2,(H,18,23)(H,20,21);3-5,7,21H,1,6,8H2,2H3,(H,17,22)(H,19,20)/t14-;15-;;;/m00.../s1
InChIKeyLXCSGYCJQBHYNL-NYWMJISJSA-N
XLogP4.80
TPSA578.30 Ų
H-Bond Donors14
H-Bond Acceptors31
Rotatable Bonds34
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001787.80
LogP ≤ 54.80
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-3-methylbutanoic acid;(2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-4-methylpentanoic acid;3-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]propanoic acid;2-[(4-hydroxy-7-methyl-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid;methyl 2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-3-methylbutanoic acid;(2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-4-methylpentanoic acid;3-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]propanoic acid;2-[(4-hydroxy-7-methyl-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid;methyl 2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetate?
The IUPAC name of (2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-3-methylbutanoic acid;(2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-4-methylpentanoic acid;3-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]propanoic acid;2-[(4-hydroxy-7-methyl-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid;methyl 2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetate (CID 159482015) is (2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-3-methylbutanoic acid;(2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-4-methylpentanoic acid;3-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]propanoic acid;2-[(4-hydroxy-7-methyl-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid;methyl 2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetate.
What is the SMILES notation for (2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-3-methylbutanoic acid;(2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-4-methylpentanoic acid;3-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]propanoic acid;2-[(4-hydroxy-7-methyl-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid;methyl 2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetate?
The canonical SMILES for (2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-3-methylbutanoic acid;(2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-4-methylpentanoic acid;3-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]propanoic acid;2-[(4-hydroxy-7-methyl-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid;methyl 2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetate is C=CCOn1c(=O)c(C(=O)NCC(=O)O)c(O)c2ccc(C)cc21.CC(C)C[C@H](NC(=O)c1c(O)c2ccccc2n(OCC2CC2)c1=O)C(=O)O.CC(C)[C@H](NC(=O)c1c(O)c2ccccc2n(OCC2CC2)c1=O)C(=O)O.COC(=O)CNC(=O)c1c(O)c2ccccc2n(OCC2CC2)c1=O.O=C(O)CCNC(=O)c1c(O)c2ccccc2n(OCC2CC2)c1=O.
What is the InChIKey of (2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-3-methylbutanoic acid;(2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-4-methylpentanoic acid;3-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]propanoic acid;2-[(4-hydroxy-7-methyl-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid;methyl 2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetate?
The InChIKey is LXCSGYCJQBHYNL-NYWMJISJSA-N. The full InChI is InChI=1S/C20H24N2O6.C19H22N2O6.2C17H18N2O6.C16H16N2O6/c1-11(2)9-14(20(26)27)21-18(24)16-17(23)13-5-3-4-6-15(13)22(19(16)25)28-10-12-7-8-12;1-10(2)15(19(25)26)20-17(23)14-16(22)12-5-3-4-6-13(12)21(18(14)24)27-9-11-7-8-11;1-24-13(20)8-18-16(22)14-15(21)11-4-2-3-5-12(11)19(17(14)23)25-9-10-6-7-10;20-13(21)7-8-18-16(23)14-15(22)11-3-1-2-4-12(11)19(17(14)24)25-9-10-5-6-10;1-3-6-24-18-11-7-9(2)4-5-10(11)14(21)13(16(18)23)15(22)17-8-12(19)20/h3-6,11-12,14,23H,7-10H2,1-2H3,(H,21,24)(H,26,27);3-6,10-11,15,22H,7-9H2,1-2H3,(H,20,23)(H,25,26);2-5,10,21H,6-9H2,1H3,(H,18,22);1-4,10,22H,5-9H2,(H,18,23)(H,20,21);3-5,7,21H,1,6,8H2,2H3,(H,17,22)(H,19,20)/t14-;15-;;;/m00.../s1.
What are the key properties of (2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-3-methylbutanoic acid;(2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-4-methylpentanoic acid;3-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]propanoic acid;2-[(4-hydroxy-7-methyl-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid;methyl 2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetate?
(2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-3-methylbutanoic acid;(2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-4-methylpentanoic acid;3-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]propanoic acid;2-[(4-hydroxy-7-methyl-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid;methyl 2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetate has a molecular weight of 1787.80 g/mol, XLogP of 4.80, 34 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-3-methylbutanoic acid;(2S)-2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]-4-methylpentanoic acid;3-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]propanoic acid;2-[(4-hydroxy-7-methyl-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid;methyl 2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetate is sourced from PubChem (CID 159482015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).