(2S)-2-amino-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide;hydrochloride

C13H26ClN3O2 — CID 119671605

IUPAC(2S)-2-amino-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCCCN1CCCC1=O.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-10(2)9-11(14)13(18)15-6-4-8-16-7-3-5-12(16)17;/h10-11H,3-9,14H2,1-2H3,(H,15,18);1H/t11-;/m0./s1
InChIKeyOBJAJDUKBASIOZ-MERQFXBCSA-N
MW291.82 g/mol
LogP0.91
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide;hydrochloride

(2S)-2-amino-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide;hydrochloride (PubChem CID 119671605) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide;hydrochloride
PubChem CID119671605
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC Name(2S)-2-amino-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCCCN1CCCC1=O.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-10(2)9-11(14)13(18)15-6-4-8-16-7-3-5-12(16)17;/h10-11H,3-9,14H2,1-2H3,(H,15,18);1H/t11-;/m0./s1
InChIKeyOBJAJDUKBASIOZ-MERQFXBCSA-N
XLogP0.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pentanamide
CID 119687909
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 119671584
(2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride
CID 119835548
(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide;dihydrochloride
CID 119834347
(2S)-2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-4-methylpentanamide;hydrochloride
CID 119779521
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
(2S)-2-amino-3-(2-methyl-1H-indol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 142183186
(2S)-N-cyclopentyl-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoylamino]propanamide
CID 94796136
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea
CID 78879528
N'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 45000134
2,4-dichloro-N-[4-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)propylamino]pentan-2-yl]benzamide
CID 43006168

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide;hydrochloride (CID 119671605) is (2S)-2-amino-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)NCCCN1CCCC1=O.Cl.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide;hydrochloride?
The InChIKey is OBJAJDUKBASIOZ-MERQFXBCSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-10(2)9-11(14)13(18)15-6-4-8-16-7-3-5-12(16)17;/h10-11H,3-9,14H2,1-2H3,(H,15,18);1H/t11-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide;hydrochloride?
(2S)-2-amino-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide;hydrochloride is sourced from PubChem (CID 119671605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).