(2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid

C15H15NO4 — CID 30049147

IUPAC(2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
SMILESCc1ccoc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H15NO4/c1-10-7-8-20-13(10)14(17)16-12(15(18)19)9-11-5-3-2-4-6-11/h2-8,12H,9H2,1H3,(H,16,17)(H,18,19)/t12-/m0/s1
InChIKeyOLFDCKLVFFWEFL-LBPRGKRZSA-N
MW273.29 g/mol
LogP2.01
Rot. Bonds5

About (2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid

(2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 30049147) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID30049147
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name(2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
SMILESCc1ccoc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H15NO4/c1-10-7-8-20-13(10)14(17)16-12(15(18)19)9-11-5-3-2-4-6-11/h2-8,12H,9H2,1H3,(H,16,17)(H,18,19)/t12-/m0/s1
InChIKeyOLFDCKLVFFWEFL-LBPRGKRZSA-N
XLogP2.01
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-hydroxyphenyl)-2-[(3-methylfuran-2-carbonyl)amino]propanoic acid
CID 16771699
2-[(3-methylfuran-2-carbonyl)amino]-3-sulfanylpropanoic acid
CID 16776859
N-(1-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide
CID 63753408
(2S)-5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]-5-oxopentanoic acid
CID 107820212
5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]pentanoic acid
CID 81076747
(3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 99851595
3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide
CID 43054971
2-[(2,3-dimethylbenzoyl)amino]-3-phenylpropanoic acid
CID 16786218
acetyl chloride;2-[(2-methylbenzoyl)amino]-3-phenylpropanoic acid
CID 174997492
2-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]-3-phenylpropanoic acid
CID 3667995
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide
CID 142753560
(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid
CID 801853

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid (CID 30049147) is (2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid is Cc1ccoc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is OLFDCKLVFFWEFL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15NO4/c1-10-7-8-20-13(10)14(17)16-12(15(18)19)9-11-5-3-2-4-6-11/h2-8,12H,9H2,1H3,(H,16,17)(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid?
(2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 30049147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).