(2R)-2-(furan-2-carbonylamino)butanoic acid

C9H11NO4 — CID 858760

IUPAC(2R)-2-(furan-2-carbonylamino)butanoic acid
SMILESCC[C@@H](NC(=O)c1ccco1)C(=O)O
InChIInChI=1S/C9H11NO4/c1-2-6(9(12)13)10-8(11)7-4-3-5-14-7/h3-6H,2H2,1H3,(H,10,11)(H,12,13)/t6-/m1/s1
InChIKeyQSNGUCJSRYFXIZ-ZCFIWIBFSA-N
MW197.19 g/mol
LogP0.87
Rot. Bonds4

About (2R)-2-(furan-2-carbonylamino)butanoic acid

(2R)-2-(furan-2-carbonylamino)butanoic acid (PubChem CID 858760) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is (2R)-2-(furan-2-carbonylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-2-(furan-2-carbonylamino)butanoic acid
PubChem CID858760
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name(2R)-2-(furan-2-carbonylamino)butanoic acid
SMILESCC[C@@H](NC(=O)c1ccco1)C(=O)O
InChIInChI=1S/C9H11NO4/c1-2-6(9(12)13)10-8(11)7-4-3-5-14-7/h3-6H,2H2,1H3,(H,10,11)(H,12,13)/t6-/m1/s1
InChIKeyQSNGUCJSRYFXIZ-ZCFIWIBFSA-N
XLogP0.87
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119223465
2-(furan-2-carbonylamino)pent-4-enoic acid
CID 115563156
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
(2R)-2-(furan-2-carbonylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
CID 99067980
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
(2R)-2-[2-(furan-2-carbonylamino)propanoylamino]-4-hydroxybutanoic acid
CID 107822895
N-[(2S)-1-phenylpropan-2-yl]furan-2-carboxamide
CID 768448
N-(1-aminopentan-3-yl)furan-2-carboxamide
CID 62653791
(2S)-2-(furan-2-carbonylamino)butanedioate
CID 6923142
N-[(1R)-1-phenylbutyl]furan-2-carboxamide
CID 29086850
N-[1-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47112949
2-(furan-2-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 16774090

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(furan-2-carbonylamino)butanoic acid?
The IUPAC name of (2R)-2-(furan-2-carbonylamino)butanoic acid (CID 858760) is (2R)-2-(furan-2-carbonylamino)butanoic acid.
What is the SMILES notation for (2R)-2-(furan-2-carbonylamino)butanoic acid?
The canonical SMILES for (2R)-2-(furan-2-carbonylamino)butanoic acid is CC[C@@H](NC(=O)c1ccco1)C(=O)O.
What is the InChIKey of (2R)-2-(furan-2-carbonylamino)butanoic acid?
The InChIKey is QSNGUCJSRYFXIZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11NO4/c1-2-6(9(12)13)10-8(11)7-4-3-5-14-7/h3-6H,2H2,1H3,(H,10,11)(H,12,13)/t6-/m1/s1.
What are the key properties of (2R)-2-(furan-2-carbonylamino)butanoic acid?
(2R)-2-(furan-2-carbonylamino)butanoic acid has a molecular weight of 197.19 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(furan-2-carbonylamino)butanoic acid is sourced from PubChem (CID 858760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).