(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid

C12H15NO4 — CID 93262749

IUPAC(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid
SMILESCOc1ccccc1C(=O)N[C@H](C)CC(=O)O
InChIInChI=1S/C12H15NO4/c1-8(7-11(14)15)13-12(16)9-5-3-4-6-10(9)17-2/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15)/t8-/m1/s1
InChIKeyIOWKUGWVPJNEOM-MRVPVSSYSA-N
MW237.25 g/mol
LogP1.29
Rot. Bonds5

About (3R)-3-[(2-methoxybenzoyl)amino]butanoic acid

(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid (PubChem CID 93262749) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is (3R)-3-[(2-methoxybenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid
PubChem CID93262749
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid
SMILESCOc1ccccc1C(=O)N[C@H](C)CC(=O)O
InChIInChI=1S/C12H15NO4/c1-8(7-11(14)15)13-12(16)9-5-3-4-6-10(9)17-2/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15)/t8-/m1/s1
InChIKeyIOWKUGWVPJNEOM-MRVPVSSYSA-N
XLogP1.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,3-dimethoxybenzoyl)amino]butanoic acid
CID 43240642
N-butan-2-yl-2-methoxybenzamide
CID 3117660
2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide
CID 58370506
3-[(2,3,4-trimethoxybenzoyl)amino]butanoic acid
CID 43410447
3-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43240643
2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704
(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 42255886
N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide
CID 51948773
N-butan-2-yl-2-[(2-methoxybenzoyl)amino]benzamide
CID 3936748
3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43360879
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043
N-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide
CID 18162458

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-methoxybenzoyl)amino]butanoic acid?
The IUPAC name of (3R)-3-[(2-methoxybenzoyl)amino]butanoic acid (CID 93262749) is (3R)-3-[(2-methoxybenzoyl)amino]butanoic acid.
What is the SMILES notation for (3R)-3-[(2-methoxybenzoyl)amino]butanoic acid?
The canonical SMILES for (3R)-3-[(2-methoxybenzoyl)amino]butanoic acid is COc1ccccc1C(=O)N[C@H](C)CC(=O)O.
What is the InChIKey of (3R)-3-[(2-methoxybenzoyl)amino]butanoic acid?
The InChIKey is IOWKUGWVPJNEOM-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(7-11(14)15)13-12(16)9-5-3-4-6-10(9)17-2/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15)/t8-/m1/s1.
What are the key properties of (3R)-3-[(2-methoxybenzoyl)amino]butanoic acid?
(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-methoxybenzoyl)amino]butanoic acid is sourced from PubChem (CID 93262749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).