2-[(3-amino-4-propoxybenzoyl)amino]butanoic acid

C14H20N2O4 — CID 110496617

IUPAC2-[(3-amino-4-propoxybenzoyl)amino]butanoic acid
SMILESCCCOc1ccc(C(=O)NC(CC)C(=O)O)cc1N
InChIInChI=1S/C14H20N2O4/c1-3-7-20-12-6-5-9(8-10(12)15)13(17)16-11(4-2)14(18)19/h5-6,8,11H,3-4,7,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyKWFKEPOWOVNYBD-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.65
Rot. Bonds7

About 2-[(3-amino-4-propoxybenzoyl)amino]butanoic acid

2-[(3-amino-4-propoxybenzoyl)amino]butanoic acid (PubChem CID 110496617) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(3-amino-4-propoxybenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(3-amino-4-propoxybenzoyl)amino]butanoic acid
PubChem CID110496617
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[(3-amino-4-propoxybenzoyl)amino]butanoic acid
SMILESCCCOc1ccc(C(=O)NC(CC)C(=O)O)cc1N
InChIInChI=1S/C14H20N2O4/c1-3-7-20-12-6-5-9(8-10(12)15)13(17)16-11(4-2)14(18)19/h5-6,8,11H,3-4,7,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyKWFKEPOWOVNYBD-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3-amino-4-propoxybenzoyl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-amino-4-propoxybenzoyl)amino]-3-hydroxybutanoic acid
CID 110496619
3-amino-N-(2-methylpropyl)-4-propoxybenzamide
CID 82070281
2-[(3-propoxybenzoyl)amino]butanoic acid
CID 62920008
methyl 3-amino-4-propoxybenzoate
CID 43380309
3-[(3,4-dipropoxybenzoyl)amino]butanoic acid
CID 119220905
3-amino-4-propoxy-N-(2-propoxyphenyl)benzamide
CID 110499861
3-amino-N-(3,5-dimethylphenyl)-4-propoxybenzamide
CID 110499834
(2S)-2-[(3-ethoxy-4-propoxybenzoyl)amino]-2-phenylacetic acid
CID 119372647
ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate
CID 61498178
3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide
CID 61094806
3-amino-N-ethyl-4-[2-(2-methylpropoxy)ethoxy]benzamide
CID 106446783
3-amino-N-(3-butoxypropyl)-4-propoxybenzamide
CID 110496597

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-propoxybenzoyl)amino]butanoic acid?
The IUPAC name of 2-[(3-amino-4-propoxybenzoyl)amino]butanoic acid (CID 110496617) is 2-[(3-amino-4-propoxybenzoyl)amino]butanoic acid.
What is the SMILES notation for 2-[(3-amino-4-propoxybenzoyl)amino]butanoic acid?
The canonical SMILES for 2-[(3-amino-4-propoxybenzoyl)amino]butanoic acid is CCCOc1ccc(C(=O)NC(CC)C(=O)O)cc1N.
What is the InChIKey of 2-[(3-amino-4-propoxybenzoyl)amino]butanoic acid?
The InChIKey is KWFKEPOWOVNYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-7-20-12-6-5-9(8-10(12)15)13(17)16-11(4-2)14(18)19/h5-6,8,11H,3-4,7,15H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(3-amino-4-propoxybenzoyl)amino]butanoic acid?
2-[(3-amino-4-propoxybenzoyl)amino]butanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-propoxybenzoyl)amino]butanoic acid is sourced from PubChem (CID 110496617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).