1-cyclopropyl-6-fluoro-7-[(2S,3R)-2-methyl-3-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

C27H36FN5O6 — CID 10053152

IUPAC1-cyclopropyl-6-fluoro-7-[(2S,3R)-2-methyl-3-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)[C@H]1C
InChIInChI=1S/C27H36FN5O6/c1-13(2)9-19(30-26(38)39-27(4,5)6)24(35)29-20-12-32(14(20)3)23-18(28)10-16-21(34)17(25(36)37)11-33(15-7-8-15)22(16)31-23/h10-11,13-15,19-20H,7-9,12H2,1-6H3,(H,29,35)(H,30,38)(H,36,37)/t14-,19-,20+/m0/s1
InChIKeyIBLCVJGHCHNUNM-PNHOKKKMSA-N
MW545.61 g/mol
LogP3.20
Rot. Bonds8

About 1-cyclopropyl-6-fluoro-7-[(2S,3R)-2-methyl-3-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

1-cyclopropyl-6-fluoro-7-[(2S,3R)-2-methyl-3-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 10053152) has the molecular formula C27H36FN5O6 and a molecular weight of 545.61 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-7-[(2S,3R)-2-methyl-3-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-7-[(2S,3R)-2-methyl-3-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID10053152
Molecular FormulaC27H36FN5O6
Molecular Weight545.61 g/mol
Exact Mass545.26
IUPAC Name1-cyclopropyl-6-fluoro-7-[(2S,3R)-2-methyl-3-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)[C@H]1C
InChIInChI=1S/C27H36FN5O6/c1-13(2)9-19(30-26(38)39-27(4,5)6)24(35)29-20-12-32(14(20)3)23-18(28)10-16-21(34)17(25(36)37)11-33(15-7-8-15)22(16)31-23/h10-11,13-15,19-20H,7-9,12H2,1-6H3,(H,29,35)(H,30,38)(H,36,37)/t14-,19-,20+/m0/s1
InChIKeyIBLCVJGHCHNUNM-PNHOKKKMSA-N
XLogP3.20
TPSA142.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.61
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-cyclopropyl-6-fluoro-7-[(2S,3R)-2-methyl-3-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopropyl-6-fluoro-7-[(1R,2S,5S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 67789039
1-tert-butyl-6-fluoro-7-[(2R,3S)-2-methyl-3-(methylamino)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 54204524
1-cyclopropyl-6-fluoro-4-oxo-7-[(3S)-3-(propan-2-yloxycarbonylamino)pyrrolidin-1-yl]-1,8-naphthyridine-3-carboxylic acid
CID 139803404
7-[3-(2-aminopropanoylamino)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 14555529
7-[(3R)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 14555537
1-cyclopropyl-6,8-difluoro-7-[(2S,3R)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 67036030
7-[3-[2-[[4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]amino]propanoylamino]pyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 6618715
1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 10027825
7-[(3R,4R)-3,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 15537057
8-chloro-1-cyclopropyl-6-fluoro-7-[(3R,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 70418522
1-cyclopropyl-6-fluoro-7-[3-[1-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl]pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 57158760
7-[(3aR,6S,6aR)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 57234013

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-7-[(2S,3R)-2-methyl-3-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-6-fluoro-7-[(2S,3R)-2-methyl-3-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 10053152) is 1-cyclopropyl-6-fluoro-7-[(2S,3R)-2-methyl-3-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-7-[(2S,3R)-2-methyl-3-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-6-fluoro-7-[(2S,3R)-2-methyl-3-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)[C@H]1C.
What is the InChIKey of 1-cyclopropyl-6-fluoro-7-[(2S,3R)-2-methyl-3-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is IBLCVJGHCHNUNM-PNHOKKKMSA-N. The full InChI is InChI=1S/C27H36FN5O6/c1-13(2)9-19(30-26(38)39-27(4,5)6)24(35)29-20-12-32(14(20)3)23-18(28)10-16-21(34)17(25(36)37)11-33(15-7-8-15)22(16)31-23/h10-11,13-15,19-20H,7-9,12H2,1-6H3,(H,29,35)(H,30,38)(H,36,37)/t14-,19-,20+/m0/s1.
What are the key properties of 1-cyclopropyl-6-fluoro-7-[(2S,3R)-2-methyl-3-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
1-cyclopropyl-6-fluoro-7-[(2S,3R)-2-methyl-3-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 545.61 g/mol, XLogP of 3.20, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-7-[(2S,3R)-2-methyl-3-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 10053152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).