(2S)-2-amino-N-(3-amino-3-oxopropyl)-N-benzylbutanamide;hydrochloride

C14H22ClN3O2 — CID 119275227

IUPAC(2S)-2-amino-N-(3-amino-3-oxopropyl)-N-benzylbutanamide;hydrochloride
SMILESCC[C@H](N)C(=O)N(CCC(N)=O)Cc1ccccc1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-2-12(15)14(19)17(9-8-13(16)18)10-11-6-4-3-5-7-11;/h3-7,12H,2,8-10,15H2,1H3,(H2,16,18);1H/t12-;/m0./s1
InChIKeyULJCMVQKXLTBIF-YDALLXLXSA-N
MW299.80 g/mol
LogP1.05
Rot. Bonds7

About (2S)-2-amino-N-(3-amino-3-oxopropyl)-N-benzylbutanamide;hydrochloride

(2S)-2-amino-N-(3-amino-3-oxopropyl)-N-benzylbutanamide;hydrochloride (PubChem CID 119275227) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-amino-3-oxopropyl)-N-benzylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-amino-3-oxopropyl)-N-benzylbutanamide;hydrochloride
PubChem CID119275227
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name(2S)-2-amino-N-(3-amino-3-oxopropyl)-N-benzylbutanamide;hydrochloride
SMILESCC[C@H](N)C(=O)N(CCC(N)=O)Cc1ccccc1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-2-12(15)14(19)17(9-8-13(16)18)10-11-6-4-3-5-7-11;/h3-7,12H,2,8-10,15H2,1H3,(H2,16,18);1H/t12-;/m0./s1
InChIKeyULJCMVQKXLTBIF-YDALLXLXSA-N
XLogP1.05
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-(3-amino-3-oxopropyl)-N-benzylbutanamide;hydrochloride 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-amino-N-benzyl-N-ethylbutanediamide
CID 54928160
methyl 2-[2-aminobutanoyl(benzyl)amino]acetate
CID 54872543
1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
2-amino-N-benzyl-N-(2-phenylethyl)pentanamide
CID 119264050
N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
3-[benzyl(ethylcarbamothioyl)amino]propanamide
CID 24540900
N-(3-amino-3-oxopropyl)-N-benzyl-2-(4-methylphenoxy)propanamide
CID 43888170
3-[benzyl(methylcarbamothioyl)amino]propanamide
CID 24540897
3-[benzyl(prop-2-enoyl)amino]propanamide
CID 54875316
3-[benzyl-(2,2,2-trichloroacetyl)amino]propanamide
CID 154136275
3-amino-N-(3-amino-3-oxopropyl)-N-benzyl-2,2-dimethylpropanamide
CID 115426371
(2S)-2-amino-N-benzyl-N-(2-methoxyethyl)pentanamide
CID 93367288

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-amino-3-oxopropyl)-N-benzylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(3-amino-3-oxopropyl)-N-benzylbutanamide;hydrochloride (CID 119275227) is (2S)-2-amino-N-(3-amino-3-oxopropyl)-N-benzylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(3-amino-3-oxopropyl)-N-benzylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(3-amino-3-oxopropyl)-N-benzylbutanamide;hydrochloride is CC[C@H](N)C(=O)N(CCC(N)=O)Cc1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-N-(3-amino-3-oxopropyl)-N-benzylbutanamide;hydrochloride?
The InChIKey is ULJCMVQKXLTBIF-YDALLXLXSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-2-12(15)14(19)17(9-8-13(16)18)10-11-6-4-3-5-7-11;/h3-7,12H,2,8-10,15H2,1H3,(H2,16,18);1H/t12-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(3-amino-3-oxopropyl)-N-benzylbutanamide;hydrochloride?
(2S)-2-amino-N-(3-amino-3-oxopropyl)-N-benzylbutanamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-amino-3-oxopropyl)-N-benzylbutanamide;hydrochloride is sourced from PubChem (CID 119275227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).