(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid

C11H13NO4 — CID 42254442

IUPAC(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
SMILESCOc1cccc(C(=O)N[C@@H](C)C(=O)O)c1
InChIInChI=1S/C11H13NO4/c1-7(11(14)15)12-10(13)8-4-3-5-9(6-8)16-2/h3-7H,1-2H3,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyIGRJYASSTQWQON-ZETCQYMHSA-N
MW223.23 g/mol
LogP0.90
Rot. Bonds4

About (2S)-2-[(3-methoxybenzoyl)amino]propanoic acid

(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid (PubChem CID 42254442) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2S)-2-[(3-methoxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
PubChem CID42254442
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
SMILESCOc1cccc(C(=O)N[C@@H](C)C(=O)O)c1
InChIInChI=1S/C11H13NO4/c1-7(11(14)15)12-10(13)8-4-3-5-9(6-8)16-2/h3-7H,1-2H3,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyIGRJYASSTQWQON-ZETCQYMHSA-N
XLogP0.90
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[3-[[(1S)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571628
(2R)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 120526943
(2S)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 120525960
3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide
CID 122195499
N-(4-hydroxybutan-2-yl)-3-methoxybenzamide
CID 81041104
3-[(3-methoxybenzoyl)amino]butanoic acid
CID 43092439
(2S)-2-[(3-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61144488
(2R)-2-[(3-hydroxybenzoyl)amino]propanoic acid
CID 20848017
(2S)-2-[[3-(3-methylbut-2-enoxy)benzoyl]amino]propanoic acid
CID 119238437
2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid
CID 43170851
2-[2-(3-methoxyphenoxy)propanoylamino]propanoic acid
CID 53264145
2-[(3-methoxybenzoyl)amino]-3-sulfopropanoic acid
CID 89123775

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-methoxybenzoyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(3-methoxybenzoyl)amino]propanoic acid (CID 42254442) is (2S)-2-[(3-methoxybenzoyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(3-methoxybenzoyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(3-methoxybenzoyl)amino]propanoic acid is COc1cccc(C(=O)N[C@@H](C)C(=O)O)c1.
What is the InChIKey of (2S)-2-[(3-methoxybenzoyl)amino]propanoic acid?
The InChIKey is IGRJYASSTQWQON-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7(11(14)15)12-10(13)8-4-3-5-9(6-8)16-2/h3-7H,1-2H3,(H,12,13)(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-[(3-methoxybenzoyl)amino]propanoic acid?
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-methoxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 42254442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).