(2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate

C18H19N2O5- — CID 7035399

IUPAC(2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)[O-]
InChIInChI=1S/C18H20N2O5/c1-3-11(2)15(18(23)24)20-16(21)12-7-4-5-8-13(12)19-17(22)14-9-6-10-25-14/h4-11,15H,3H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)/p-1/t11-,15-/m0/s1
InChIKeyNMVOTSMEGVSCEK-NHYWBVRUSA-M
MW343.36 g/mol
LogP1.43
Rot. Bonds7

About (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate

(2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate (PubChem CID 7035399) has the molecular formula C18H19N2O5- and a molecular weight of 343.36 g/mol. Its IUPAC name is (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate.

Molecular Properties

Compound Name(2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
PubChem CID7035399
Molecular FormulaC18H19N2O5-
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name(2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)[O-]
InChIInChI=1S/C18H20N2O5/c1-3-11(2)15(18(23)24)20-16(21)12-7-4-5-8-13(12)19-17(22)14-9-6-10-25-14/h4-11,15H,3H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)/p-1/t11-,15-/m0/s1
InChIKeyNMVOTSMEGVSCEK-NHYWBVRUSA-M
XLogP1.43
TPSA111.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate with MolForge

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Related Compounds

(2R,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoic acid
CID 829507
methyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
CID 7033926
2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylbutanoate
CID 4158153
(2R)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate
CID 7430265
2-[[2-(furan-2-carbonylamino)benzoyl]amino]propanoate
CID 3487490
(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate
CID 7482305
(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanedioate
CID 7760340
(2R,3S)-2-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]-3-methylpentanoate
CID 7392970
N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 126003002
N-[2-[[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 7612713
N-[2-[(2R)-butan-2-yl]phenyl]furan-2-carboxamide
CID 959679
N-[2-[[1-(cyclohexylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 2930202

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate?
The IUPAC name of (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate (CID 7035399) is (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate.
What is the SMILES notation for (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate?
The canonical SMILES for (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate is CC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)[O-].
What is the InChIKey of (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate?
The InChIKey is NMVOTSMEGVSCEK-NHYWBVRUSA-M. The full InChI is InChI=1S/C18H20N2O5/c1-3-11(2)15(18(23)24)20-16(21)12-7-4-5-8-13(12)19-17(22)14-9-6-10-25-14/h4-11,15H,3H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)/p-1/t11-,15-/m0/s1.
What are the key properties of (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate?
(2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate has a molecular weight of 343.36 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate is sourced from PubChem (CID 7035399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).