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

C14H13NO5 — CID 61152901

IUPAC(2S)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
SMILESO=C(N[C@@H](CO)C(=O)O)c1occc1-c1ccccc1
InChIInChI=1S/C14H13NO5/c16-8-11(14(18)19)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
InChIKeyCRRHXIYPWOBVHB-NSHDSACASA-N
MW275.26 g/mol
LogP1.12
Rot. Bonds5

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

(2S)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic acid (PubChem CID 61152901) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
PubChem CID61152901
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name(2S)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
SMILESO=C(N[C@@H](CO)C(=O)O)c1occc1-c1ccccc1
InChIInChI=1S/C14H13NO5/c16-8-11(14(18)19)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
InChIKeyCRRHXIYPWOBVHB-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-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide
CID 142753560
(2S)-2-hydroxy-3-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
CID 107832817
N-(1-hydroxypentan-3-yl)-3-phenylfuran-2-carboxamide
CID 109479214
(2S)-4-methyl-2-[[2-[(3-phenylfuran-2-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695237
N-(1-cyclopropylethyl)-3-phenylfuran-2-carboxamide
CID 47012609
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-phenylfuran-2-carboxamide
CID 107847366
N-cyano-3-phenylfuran-2-carboxamide
CID 79194382
N-(3-methylbutyl)-3-phenylfuran-2-carboxamide
CID 35072143
2-[(3-phenylfuran-2-carbonyl)amino]oxyacetic acid
CID 63914694
N-(3-hydroxypentyl)-3-phenylfuran-2-carboxamide
CID 115703850
(2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30049147
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-phenylfuran-2-carboxamide
CID 110885536

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic acid (CID 61152901) is (2S)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic acid is O=C(N[C@@H](CO)C(=O)O)c1occc1-c1ccccc1.
What is the InChIKey of (2S)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic acid?
The InChIKey is CRRHXIYPWOBVHB-NSHDSACASA-N. The full InChI is InChI=1S/C14H13NO5/c16-8-11(14(18)19)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)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic acid?
(2S)-3-hydroxy-2-[(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)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61152901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).