(2S)-2-hydroxy-3-[(3-phenylfuran-2-carbonyl)amino]propanoic acid

C14H13NO5 — CID 107832817

IUPAC(2S)-2-hydroxy-3-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)c1occc1-c1ccccc1
InChIInChI=1S/C14H13NO5/c16-11(14(18)19)8-15-13(17)12-10(6-7-20-12)9-4-2-1-3-5-9/h1-7,11,16H,8H2,(H,15,17)(H,18,19)/t11-/m0/s1
InChIKeyQDCVRLJPPGKWLS-NSHDSACASA-N
MW275.26 g/mol
LogP1.12
Rot. Bonds5

About (2S)-2-hydroxy-3-[(3-phenylfuran-2-carbonyl)amino]propanoic acid

(2S)-2-hydroxy-3-[(3-phenylfuran-2-carbonyl)amino]propanoic acid (PubChem CID 107832817) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[(3-phenylfuran-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
PubChem CID107832817
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name(2S)-2-hydroxy-3-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)c1occc1-c1ccccc1
InChIInChI=1S/C14H13NO5/c16-11(14(18)19)8-15-13(17)12-10(6-7-20-12)9-4-2-1-3-5-9/h1-7,11,16H,8H2,(H,15,17)(H,18,19)/t11-/m0/s1
InChIKeyQDCVRLJPPGKWLS-NSHDSACASA-N
XLogP1.12
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-phenylfuran-2-carboxamide
CID 110885536
(2S)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
CID 61152901
N-(3-methylbutyl)-3-phenylfuran-2-carboxamide
CID 35072143
N-(3-hydroxypentyl)-3-phenylfuran-2-carboxamide
CID 115703850
N-(2-hydroxy-2-methylbutyl)-3-phenylfuran-2-carboxamide
CID 65114924
(2S)-4-methyl-2-[[2-[(3-phenylfuran-2-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695237
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-phenylfuran-2-carboxamide
CID 107847366
N-cyano-3-phenylfuran-2-carboxamide
CID 79194382
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylfuran-2-carboxamide
CID 120944262
2-[(3-phenylfuran-2-carbonyl)amino]oxyacetic acid
CID 63914694
3-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 30885160
N-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-phenylfuran-2-carboxamide
CID 97247610

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[(3-phenylfuran-2-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[(3-phenylfuran-2-carbonyl)amino]propanoic acid (CID 107832817) is (2S)-2-hydroxy-3-[(3-phenylfuran-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[(3-phenylfuran-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[(3-phenylfuran-2-carbonyl)amino]propanoic acid is O=C(NC[C@H](O)C(=O)O)c1occc1-c1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-3-[(3-phenylfuran-2-carbonyl)amino]propanoic acid?
The InChIKey is QDCVRLJPPGKWLS-NSHDSACASA-N. The full InChI is InChI=1S/C14H13NO5/c16-11(14(18)19)8-15-13(17)12-10(6-7-20-12)9-4-2-1-3-5-9/h1-7,11,16H,8H2,(H,15,17)(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[(3-phenylfuran-2-carbonyl)amino]propanoic acid?
(2S)-2-hydroxy-3-[(3-phenylfuran-2-carbonyl)amino]propanoic acid has a molecular weight of 275.26 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[(3-phenylfuran-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 107832817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).