4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid

C13H18N2O4 — CID 107570971

IUPAC4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid
SMILESCCC[C@@H](N)C(=O)Nc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C13H18N2O4/c1-3-4-10(14)12(16)15-8-5-6-9(13(17)18)11(7-8)19-2/h5-7,10H,3-4,14H2,1-2H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyYVXMADRBGQTHMB-SNVBAGLBSA-N
MW266.30 g/mol
LogP1.46
Rot. Bonds6

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

4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid (PubChem CID 107570971) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid
PubChem CID107570971
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid
SMILESCCC[C@@H](N)C(=O)Nc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C13H18N2O4/c1-3-4-10(14)12(16)15-8-5-6-9(13(17)18)11(7-8)19-2/h5-7,10H,3-4,14H2,1-2H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyYVXMADRBGQTHMB-SNVBAGLBSA-N
XLogP1.46
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide
CID 93268119
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-methoxybenzoic acid
CID 107208045
4-(2-aminopentanoylamino)-2-chlorobenzoic acid
CID 61399026
4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-methoxybenzoic acid
CID 107208073
5-(2-aminopentanoylamino)-2-methylbenzoic acid
CID 63654195
2-[[(2R)-2-aminopentanoyl]amino]-4,5-dimethoxybenzoic acid
CID 103870871
4-(4-aminopentanoylamino)-2-methoxybenzoic acid
CID 107208189
2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride
CID 119327459
4-(3-aminopentanoylamino)-2-methoxybenzoic acid
CID 107208106
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
2-amino-N-(4-bromo-3-methoxyphenyl)hexanamide
CID 115443247
4-[[(2S)-2-aminohexanoyl]amino]-2-hydroxybenzoic acid
CID 107144725

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid?
The IUPAC name of 4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid (CID 107570971) is 4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid?
The canonical SMILES for 4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid is CCC[C@@H](N)C(=O)Nc1ccc(C(=O)O)c(OC)c1.
What is the InChIKey of 4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid?
The InChIKey is YVXMADRBGQTHMB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-4-10(14)12(16)15-8-5-6-9(13(17)18)11(7-8)19-2/h5-7,10H,3-4,14H2,1-2H3,(H,15,16)(H,17,18)/t10-/m1/s1.
What are the key properties of 4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid?
4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid is sourced from PubChem (CID 107570971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).