(2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-ethylbutanamide;hydrochloride

C9H20ClN3O2 — CID 158763215

IUPAC(2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-ethylbutanamide;hydrochloride
SMILESCCNC(=O)[C@H](CC)NC(=O)[C@H](C)N.Cl
InChIInChI=1S/C9H19N3O2.ClH/c1-4-7(9(14)11-5-2)12-8(13)6(3)10;/h6-7H,4-5,10H2,1-3H3,(H,11,14)(H,12,13);1H/t6-,7-;/m0./s1
InChIKeyLBXXLWNSUQNFGW-LEUCUCNGSA-N
MW237.73 g/mol
LogP-0.21
Rot. Bonds5

About (2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-ethylbutanamide;hydrochloride

(2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-ethylbutanamide;hydrochloride (PubChem CID 158763215) has the molecular formula C9H20ClN3O2 and a molecular weight of 237.73 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-ethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-ethylbutanamide;hydrochloride
PubChem CID158763215
Molecular FormulaC9H20ClN3O2
Molecular Weight237.73 g/mol
Exact Mass237.12
IUPAC Name(2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-ethylbutanamide;hydrochloride
SMILESCCNC(=O)[C@H](CC)NC(=O)[C@H](C)N.Cl
InChIInChI=1S/C9H19N3O2.ClH/c1-4-7(9(14)11-5-2)12-8(13)6(3)10;/h6-7H,4-5,10H2,1-3H3,(H,11,14)(H,12,13);1H/t6-,7-;/m0./s1
InChIKeyLBXXLWNSUQNFGW-LEUCUCNGSA-N
XLogP-0.21
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-ethylbutanamide;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-[1-(ethylamino)-1-oxobutan-2-yl]-4-methylpentanamide
CID 85264464
N-(1-amino-1-oxopropan-2-yl)-2-(2-aminopropanoylamino)butanamide
CID 163972321
2-[[(2S)-2-aminopropanoyl]amino]-N-ethyl-3-methylbutanamide;azane;ethane
CID 143299850
(2S)-2-[[(2S)-2-[[(2R)-2-aminohexyl]amino]propanoyl]amino]-N-ethylbutanamide
CID 87506133
(2S)-2-amino-N-pentan-3-ylpropanamide
CID 14333664
ethane;N-ethyl-2-methylbutanamide
CID 145471862
(2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 6992390
2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 78973229
(2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid;hydrochloride
CID 88754532
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
2-amino-N,N'-diethylpropanediamide
CID 88901749

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-ethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-ethylbutanamide;hydrochloride (CID 158763215) is (2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-ethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-ethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-ethylbutanamide;hydrochloride is CCNC(=O)[C@H](CC)NC(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-ethylbutanamide;hydrochloride?
The InChIKey is LBXXLWNSUQNFGW-LEUCUCNGSA-N. The full InChI is InChI=1S/C9H19N3O2.ClH/c1-4-7(9(14)11-5-2)12-8(13)6(3)10;/h6-7H,4-5,10H2,1-3H3,(H,11,14)(H,12,13);1H/t6-,7-;/m0./s1.
What are the key properties of (2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-ethylbutanamide;hydrochloride?
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-ethylbutanamide;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-ethylbutanamide;hydrochloride is sourced from PubChem (CID 158763215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).