propyl 4-[[(2R)-2-aminopentanoyl]amino]benzoate

C15H22N2O3 — CID 103793905

IUPACpropyl 4-[[(2R)-2-aminopentanoyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)[C@H](N)CCC)cc1
InChIInChI=1S/C15H22N2O3/c1-3-5-13(16)14(18)17-12-8-6-11(7-9-12)15(19)20-10-4-2/h6-9,13H,3-5,10,16H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyQXVQGFYESLTURH-CYBMUJFWSA-N
MW278.35 g/mol
LogP2.32
Rot. Bonds7

About propyl 4-[[(2R)-2-aminopentanoyl]amino]benzoate

propyl 4-[[(2R)-2-aminopentanoyl]amino]benzoate (PubChem CID 103793905) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is propyl 4-[[(2R)-2-aminopentanoyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[(2R)-2-aminopentanoyl]amino]benzoate
PubChem CID103793905
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namepropyl 4-[[(2R)-2-aminopentanoyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)[C@H](N)CCC)cc1
InChIInChI=1S/C15H22N2O3/c1-3-5-13(16)14(18)17-12-8-6-11(7-9-12)15(19)20-10-4-2/h6-9,13H,3-5,10,16H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyQXVQGFYESLTURH-CYBMUJFWSA-N
XLogP2.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze propyl 4-[[(2R)-2-aminopentanoyl]amino]benzoate 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

ethyl 4-[[(2S)-2-aminohexanoyl]amino]benzoate
CID 103830868
4-(2-aminopentanoylamino)benzamide;hydrochloride
CID 119262578
propyl 4-[2-(methylamino)propanoylamino]benzoate
CID 60718902
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide
CID 107568581
propyl 4-[2-(carbamoylamino)propanoylamino]benzoate
CID 43404049
ethyl 4-(2-aminobutanoylamino)benzoate
CID 61252115
(2R)-2-amino-N-(4-bromophenyl)pentanamide
CID 103793741
(2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide
CID 107568598
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
ethyl 4-[(2-amino-3-methoxypropanoyl)amino]benzoate
CID 81088417
methyl 4-[(2-amino-5-methoxypentanoyl)amino]benzoate
CID 81089380

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[(2R)-2-aminopentanoyl]amino]benzoate?
The IUPAC name of propyl 4-[[(2R)-2-aminopentanoyl]amino]benzoate (CID 103793905) is propyl 4-[[(2R)-2-aminopentanoyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[(2R)-2-aminopentanoyl]amino]benzoate?
The canonical SMILES for propyl 4-[[(2R)-2-aminopentanoyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)[C@H](N)CCC)cc1.
What is the InChIKey of propyl 4-[[(2R)-2-aminopentanoyl]amino]benzoate?
The InChIKey is QXVQGFYESLTURH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-5-13(16)14(18)17-12-8-6-11(7-9-12)15(19)20-10-4-2/h6-9,13H,3-5,10,16H2,1-2H3,(H,17,18)/t13-/m1/s1.
What are the key properties of propyl 4-[[(2R)-2-aminopentanoyl]amino]benzoate?
propyl 4-[[(2R)-2-aminopentanoyl]amino]benzoate has a molecular weight of 278.35 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[(2R)-2-aminopentanoyl]amino]benzoate is sourced from PubChem (CID 103793905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).