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

C16H17NO4 — CID 99851595

IUPAC(3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1[C@H](CC(=O)O)NC(=O)c1occc1C
InChIInChI=1S/C16H17NO4/c1-10-5-3-4-6-12(10)13(9-14(18)19)17-16(20)15-11(2)7-8-21-15/h3-8,13H,9H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyZCKVTRZFUIYEAZ-ZDUSSCGKSA-N
MW287.31 g/mol
LogP2.84
Rot. Bonds5

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

(3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid (PubChem CID 99851595) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is (3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name(3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
PubChem CID99851595
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name(3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1[C@H](CC(=O)O)NC(=O)c1occc1C
InChIInChI=1S/C16H17NO4/c1-10-5-3-4-6-12(10)13(9-14(18)19)17-16(20)15-11(2)7-8-21-15/h3-8,13H,9H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyZCKVTRZFUIYEAZ-ZDUSSCGKSA-N
XLogP2.84
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid
CID 84583373
(3R)-3-(3-bromophenyl)-3-[(3-methylfuran-2-carbonyl)amino]propanoic acid
CID 97233805
3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide
CID 43054971
3-(methylamino)-3-(2-methylphenyl)propanoic acid
CID 65236485
3-(2-ethylbutanoylamino)-3-(2-methylphenyl)propanoic acid
CID 120606642
(2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30049147
3-(2-methylphenyl)-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
CID 90094238
3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 90093433
3-(3-methylbut-2-enoylamino)-3-(2-methylphenyl)propanoic acid
CID 86782567
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide
CID 95197180
3-methyl-N-[(1S)-2-(2-oxo-1-pyridinyl)-1-phenylethyl]furan-2-carboxamide
CID 124847738
(3S)-3-[[(1S,5S)-bicyclo[3.1.0]hexane-6-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 98271190

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid?
The IUPAC name of (3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid (CID 99851595) is (3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid.
What is the SMILES notation for (3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid?
The canonical SMILES for (3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid is Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1occc1C.
What is the InChIKey of (3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid?
The InChIKey is ZCKVTRZFUIYEAZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10-5-3-4-6-12(10)13(9-14(18)19)17-16(20)15-11(2)7-8-21-15/h3-8,13H,9H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/s1.
What are the key properties of (3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid?
(3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid has a molecular weight of 287.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 99851595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).