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

C13H26ClN3O2 — CID 119740547

IUPAC2-amino-3-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NC(C)CN1CCCC1=O.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-4-9(2)12(14)13(18)15-10(3)8-16-7-5-6-11(16)17;/h9-10,12H,4-8,14H2,1-3H3,(H,15,18);1H
InChIKeyXGFURBGRYNLFIF-UHFFFAOYSA-N
MW291.82 g/mol
LogP0.91
Rot. Bonds6

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

2-amino-3-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pentanamide;hydrochloride (PubChem CID 119740547) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pentanamide;hydrochloride
PubChem CID119740547
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC Name2-amino-3-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NC(C)CN1CCCC1=O.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-4-9(2)12(14)13(18)15-10(3)8-16-7-5-6-11(16)17;/h9-10,12H,4-8,14H2,1-3H3,(H,15,18);1H
InChIKeyXGFURBGRYNLFIF-UHFFFAOYSA-N
XLogP0.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

(2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide
CID 93001596
(2S)-2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119298734
tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 63789574
2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-thiophen-2-ylacetamide
CID 115286494
2-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 119756305
4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide
CID 79526812
3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119740521
2-amino-N-[2-oxo-2-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]acetamide
CID 54863279
3-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119740525
1-cyclobutyl-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 136524316
4-(methoxymethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 120624494
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 61062526

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pentanamide;hydrochloride (CID 119740547) is 2-amino-3-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pentanamide;hydrochloride is CCC(C)C(N)C(=O)NC(C)CN1CCCC1=O.Cl.
What is the InChIKey of 2-amino-3-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pentanamide;hydrochloride?
The InChIKey is XGFURBGRYNLFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-4-9(2)12(14)13(18)15-10(3)8-16-7-5-6-11(16)17;/h9-10,12H,4-8,14H2,1-3H3,(H,15,18);1H.
What are the key properties of 2-amino-3-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pentanamide;hydrochloride?
2-amino-3-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pentanamide;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pentanamide;hydrochloride is sourced from PubChem (CID 119740547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).