5-[(2-amino-5-methoxybenzoyl)amino]-2-methylpentanoic acid

C14H20N2O4 — CID 104685620

IUPAC5-[(2-amino-5-methoxybenzoyl)amino]-2-methylpentanoic acid
SMILESCOc1ccc(N)c(C(=O)NCCCC(C)C(=O)O)c1
InChIInChI=1S/C14H20N2O4/c1-9(14(18)19)4-3-7-16-13(17)11-8-10(20-2)5-6-12(11)15/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCLTXCAXUHQKLDT-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.51
Rot. Bonds7

About 5-[(2-amino-5-methoxybenzoyl)amino]-2-methylpentanoic acid

5-[(2-amino-5-methoxybenzoyl)amino]-2-methylpentanoic acid (PubChem CID 104685620) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-[(2-amino-5-methoxybenzoyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[(2-amino-5-methoxybenzoyl)amino]-2-methylpentanoic acid
PubChem CID104685620
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name5-[(2-amino-5-methoxybenzoyl)amino]-2-methylpentanoic acid
SMILESCOc1ccc(N)c(C(=O)NCCCC(C)C(=O)O)c1
InChIInChI=1S/C14H20N2O4/c1-9(14(18)19)4-3-7-16-13(17)11-8-10(20-2)5-6-12(11)15/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCLTXCAXUHQKLDT-UHFFFAOYSA-N
XLogP1.51
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide
CID 64927216
2-amino-5-methoxy-N-(3-methoxypropyl)benzamide
CID 54878569
2-amino-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 60954479
2-amino-5-methoxy-N-propylbenzamide
CID 60954595
2-amino-5-methoxy-N-(4,4,4-trifluorobutyl)benzamide
CID 115514769
(2S)-2-[(2-amino-5-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 115412933
2-bromo-N-(4-chloropentyl)-5-methoxybenzamide
CID 114147401
2-amino-N-(2-cyanoethyl)-5-methoxybenzamide
CID 115412506
2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide
CID 115405286
5-[(3-amino-4-methylbenzoyl)amino]-2-methylpentanoic acid
CID 112547774
2-amino-5-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63983695
(2R)-2-[(2-amino-5-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 104909181

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-5-methoxybenzoyl)amino]-2-methylpentanoic acid?
The IUPAC name of 5-[(2-amino-5-methoxybenzoyl)amino]-2-methylpentanoic acid (CID 104685620) is 5-[(2-amino-5-methoxybenzoyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[(2-amino-5-methoxybenzoyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 5-[(2-amino-5-methoxybenzoyl)amino]-2-methylpentanoic acid is COc1ccc(N)c(C(=O)NCCCC(C)C(=O)O)c1.
What is the InChIKey of 5-[(2-amino-5-methoxybenzoyl)amino]-2-methylpentanoic acid?
The InChIKey is CLTXCAXUHQKLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(14(18)19)4-3-7-16-13(17)11-8-10(20-2)5-6-12(11)15/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(2-amino-5-methoxybenzoyl)amino]-2-methylpentanoic acid?
5-[(2-amino-5-methoxybenzoyl)amino]-2-methylpentanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-5-methoxybenzoyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 104685620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).