(2R)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate

C16H15N2O5- — CID 7430265

IUPAC(2R)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate
SMILESCC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)[O-]
InChIInChI=1S/C16H16N2O5/c1-2-11(16(21)22)17-14(19)10-6-3-4-7-12(10)18-15(20)13-8-5-9-23-13/h3-9,11H,2H2,1H3,(H,17,19)(H,18,20)(H,21,22)/p-1/t11-/m1/s1
InChIKeyNCZOQPHQZJOIEL-LLVKDONJSA-M
MW315.31 g/mol
LogP0.79
Rot. Bonds6

About (2R)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate

(2R)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate (PubChem CID 7430265) has the molecular formula C16H15N2O5- and a molecular weight of 315.31 g/mol. Its IUPAC name is (2R)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate.

Molecular Properties

Compound Name(2R)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate
PubChem CID7430265
Molecular FormulaC16H15N2O5-
Molecular Weight315.31 g/mol
Exact Mass315.10
IUPAC Name(2R)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate
SMILESCC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)[O-]
InChIInChI=1S/C16H16N2O5/c1-2-11(16(21)22)17-14(19)10-6-3-4-7-12(10)18-15(20)13-8-5-9-23-13/h3-9,11H,2H2,1H3,(H,17,19)(H,18,20)(H,21,22)/p-1/t11-/m1/s1
InChIKeyNCZOQPHQZJOIEL-LLVKDONJSA-M
XLogP0.79
TPSA111.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate
CID 7482305
(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanedioate
CID 7760340
(2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
CID 7035399
2-[[2-(furan-2-carbonylamino)benzoyl]amino]propanoate
CID 3487490
N-[2-[[1-(cyclohexylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 2930202
2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylbutanoate
CID 4158153
2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 5187549
(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 6982398
(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
N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 126003002
N-[2-[[(2R)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 40836631

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate?
The IUPAC name of (2R)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate (CID 7430265) is (2R)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate.
What is the SMILES notation for (2R)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate?
The canonical SMILES for (2R)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate is CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)[O-].
What is the InChIKey of (2R)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate?
The InChIKey is NCZOQPHQZJOIEL-LLVKDONJSA-M. The full InChI is InChI=1S/C16H16N2O5/c1-2-11(16(21)22)17-14(19)10-6-3-4-7-12(10)18-15(20)13-8-5-9-23-13/h3-9,11H,2H2,1H3,(H,17,19)(H,18,20)(H,21,22)/p-1/t11-/m1/s1.
What are the key properties of (2R)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate?
(2R)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate has a molecular weight of 315.31 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate is sourced from PubChem (CID 7430265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).