(2S)-2-(furan-2-carbonylamino)propanoic acid

C8H9NO4 — CID 792932

IUPAC(2S)-2-(furan-2-carbonylamino)propanoic acid
SMILESC[C@H](NC(=O)c1ccco1)C(=O)O
InChIInChI=1S/C8H9NO4/c1-5(8(11)12)9-7(10)6-3-2-4-13-6/h2-5H,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeyVNYWJRJEGHPIQW-YFKPBYRVSA-N
MW183.16 g/mol
LogP0.48
Rot. Bonds3

About (2S)-2-(furan-2-carbonylamino)propanoic acid

(2S)-2-(furan-2-carbonylamino)propanoic acid (PubChem CID 792932) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is (2S)-2-(furan-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(furan-2-carbonylamino)propanoic acid
PubChem CID792932
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name(2S)-2-(furan-2-carbonylamino)propanoic acid
SMILESC[C@H](NC(=O)c1ccco1)C(=O)O
InChIInChI=1S/C8H9NO4/c1-5(8(11)12)9-7(10)6-3-2-4-13-6/h2-5H,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeyVNYWJRJEGHPIQW-YFKPBYRVSA-N
XLogP0.48
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[2-(furan-2-carbonylamino)propanoylamino]-4-hydroxybutanoic acid
CID 107822895
N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606
4-[2-(furan-2-carbonylamino)propanoylamino]-2-methylbutanoic acid
CID 80537997
N-[(2S)-1-phenylpropan-2-yl]furan-2-carboxamide
CID 768448
(2R)-2-(furan-2-carbonylamino)butanoic acid
CID 858760
N-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51147843
N-[1-[2-hydroxyethyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 60652573
N-(1,1-diphenylpropan-2-yl)furan-2-carboxamide
CID 46432017
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119384374
N-[1-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47112949
N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 2534154
N-[1-(3,3-diphenylpropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24665013

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-2-carbonylamino)propanoic acid?
The IUPAC name of (2S)-2-(furan-2-carbonylamino)propanoic acid (CID 792932) is (2S)-2-(furan-2-carbonylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(furan-2-carbonylamino)propanoic acid?
The canonical SMILES for (2S)-2-(furan-2-carbonylamino)propanoic acid is C[C@H](NC(=O)c1ccco1)C(=O)O.
What is the InChIKey of (2S)-2-(furan-2-carbonylamino)propanoic acid?
The InChIKey is VNYWJRJEGHPIQW-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H9NO4/c1-5(8(11)12)9-7(10)6-3-2-4-13-6/h2-5H,1H3,(H,9,10)(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-(furan-2-carbonylamino)propanoic acid?
(2S)-2-(furan-2-carbonylamino)propanoic acid has a molecular weight of 183.16 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-2-carbonylamino)propanoic acid is sourced from PubChem (CID 792932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).