4-[[(2R)-2-aminopropanoyl]amino]-3-methoxybenzoic acid

C11H14N2O4 — CID 167188995

IUPAC4-[[(2R)-2-aminopropanoyl]amino]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1NC(=O)[C@@H](C)N
InChIInChI=1S/C11H14N2O4/c1-6(12)10(14)13-8-4-3-7(11(15)16)5-9(8)17-2/h3-6H,12H2,1-2H3,(H,13,14)(H,15,16)/t6-/m1/s1
InChIKeyIXVPDKRZFKIUBD-ZCFIWIBFSA-N
MW238.24 g/mol
LogP0.68
Rot. Bonds4

About 4-[[(2R)-2-aminopropanoyl]amino]-3-methoxybenzoic acid

4-[[(2R)-2-aminopropanoyl]amino]-3-methoxybenzoic acid (PubChem CID 167188995) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-[[(2R)-2-aminopropanoyl]amino]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[[(2R)-2-aminopropanoyl]amino]-3-methoxybenzoic acid
PubChem CID167188995
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name4-[[(2R)-2-aminopropanoyl]amino]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1NC(=O)[C@@H](C)N
InChIInChI=1S/C11H14N2O4/c1-6(12)10(14)13-8-4-3-7(11(15)16)5-9(8)17-2/h3-6H,12H2,1-2H3,(H,13,14)(H,15,16)/t6-/m1/s1
InChIKeyIXVPDKRZFKIUBD-ZCFIWIBFSA-N
XLogP0.68
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(carbamothioylamino)-3-methoxybenzoic acid
CID 91875438
3-methoxy-4-(methoxycarbonylamino)benzoic acid
CID 58375560
4-[[(2S)-2-aminopropanoyl]amino]-3-bromobenzoic acid
CID 78992135
4-methoxy-3-(2-methylpropanoylamino)benzoic acid
CID 63742748
4-[(2-chloroacetyl)amino]-3-methoxybenzoic acid
CID 19099511
3-[[(2S)-2-amino-3-methylpentanoyl]amino]-4-methoxybenzoic acid
CID 63744628
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methoxybenzoic acid
CID 63742251
2-amino-N-(5-tert-butyl-2-methoxyphenyl)propanamide
CID 43424856
4-[(4-carboxy-2-methoxyanilino)sulfanylamino]-3-methoxybenzoic acid
CID 167476178
4-(2-hydroxyhydrazinyl)-3-methoxybenzoic acid
CID 176970330
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-2-methylpropanamide
CID 113460435
3-methoxy-4-(1-methoxy-1-oxopropan-2-yl)oxybenzoic acid
CID 2981353

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-aminopropanoyl]amino]-3-methoxybenzoic acid?
The IUPAC name of 4-[[(2R)-2-aminopropanoyl]amino]-3-methoxybenzoic acid (CID 167188995) is 4-[[(2R)-2-aminopropanoyl]amino]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[[(2R)-2-aminopropanoyl]amino]-3-methoxybenzoic acid?
The canonical SMILES for 4-[[(2R)-2-aminopropanoyl]amino]-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1NC(=O)[C@@H](C)N.
What is the InChIKey of 4-[[(2R)-2-aminopropanoyl]amino]-3-methoxybenzoic acid?
The InChIKey is IXVPDKRZFKIUBD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6(12)10(14)13-8-4-3-7(11(15)16)5-9(8)17-2/h3-6H,12H2,1-2H3,(H,13,14)(H,15,16)/t6-/m1/s1.
What are the key properties of 4-[[(2R)-2-aminopropanoyl]amino]-3-methoxybenzoic acid?
4-[[(2R)-2-aminopropanoyl]amino]-3-methoxybenzoic acid has a molecular weight of 238.24 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-aminopropanoyl]amino]-3-methoxybenzoic acid is sourced from PubChem (CID 167188995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).