(2R)-3-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid

C11H15NO4 — CID 1273432

IUPAC(2R)-3-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)N[C@@H](C(=O)O)C(C)C)co1
InChIInChI=1S/C11H15NO4/c1-6(2)9(11(14)15)12-10(13)8-4-7(3)16-5-8/h4-6,9H,1-3H3,(H,12,13)(H,14,15)/t9-/m1/s1
InChIKeyXHTSQIGNMMJNHZ-SECBINFHSA-N
MW225.24 g/mol
LogP1.43
Rot. Bonds4

About (2R)-3-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid

(2R)-3-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid (PubChem CID 1273432) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid
PubChem CID1273432
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(2R)-3-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)N[C@@H](C(=O)O)C(C)C)co1
InChIInChI=1S/C11H15NO4/c1-6(2)9(11(14)15)12-10(13)8-4-7(3)16-5-8/h4-6,9H,1-3H3,(H,12,13)(H,14,15)/t9-/m1/s1
InChIKeyXHTSQIGNMMJNHZ-SECBINFHSA-N
XLogP1.43
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-3-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic 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

(2S)-2-[(5-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid
CID 119360100
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-5-methylfuran-3-carboxamide
CID 114820763
(2S)-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid
CID 104978924
N-(1-iodo-3-methylbutan-2-yl)-5-methylfuran-3-carboxamide
CID 107860051
N-(1-cyanoethyl)-5-methylfuran-3-carboxamide
CID 114820587
N-but-3-yn-2-yl-5-methylfuran-3-carboxamide
CID 114822800
(2S)-2-[(3,4-dimethylbenzoyl)amino]-3-methylbutanoic acid
CID 42255568
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-methylfuran-3-carboxamide
CID 104979012
2-[(3,5-dichlorobenzoyl)amino]-3-methylbutanoic acid
CID 16773523
(2S)-2-[(3-iodobenzoyl)amino]-3-methylbutanoic acid
CID 28831811
2-[(3-bromo-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 104850643
(2S)-2-[(3-chloro-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 81323454

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid (CID 1273432) is (2R)-3-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid is Cc1cc(C(=O)N[C@@H](C(=O)O)C(C)C)co1.
What is the InChIKey of (2R)-3-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid?
The InChIKey is XHTSQIGNMMJNHZ-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO4/c1-6(2)9(11(14)15)12-10(13)8-4-7(3)16-5-8/h4-6,9H,1-3H3,(H,12,13)(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid?
(2R)-3-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid has a molecular weight of 225.24 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 1273432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).