(2S)-2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-4-methylpentanamide;hydrochloride

C12H23ClN4O3 — CID 119779521

IUPAC(2S)-2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCCCN1C(=O)CNC1=O.Cl
InChIInChI=1S/C12H22N4O3.ClH/c1-8(2)6-9(13)11(18)14-4-3-5-16-10(17)7-15-12(16)19;/h8-9H,3-7,13H2,1-2H3,(H,14,18)(H,15,19);1H/t9-;/m0./s1
InChIKeyAFCPAUJEIZUKCJ-FVGYRXGTSA-N
MW306.79 g/mol
LogP-0.16
Rot. Bonds7

About (2S)-2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-4-methylpentanamide;hydrochloride

(2S)-2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-4-methylpentanamide;hydrochloride (PubChem CID 119779521) has the molecular formula C12H23ClN4O3 and a molecular weight of 306.79 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-4-methylpentanamide;hydrochloride
PubChem CID119779521
Molecular FormulaC12H23ClN4O3
Molecular Weight306.79 g/mol
Exact Mass306.15
IUPAC Name(2S)-2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCCCN1C(=O)CNC1=O.Cl
InChIInChI=1S/C12H22N4O3.ClH/c1-8(2)6-9(13)11(18)14-4-3-5-16-10(17)7-15-12(16)19;/h8-9H,3-7,13H2,1-2H3,(H,14,18)(H,15,19);1H/t9-;/m0./s1
InChIKeyAFCPAUJEIZUKCJ-FVGYRXGTSA-N
XLogP-0.16
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-4-methylpentanamide;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

(2S)-2-amino-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide;hydrochloride
CID 119671605
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride
CID 119827262
(2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride
CID 119835548
(2S)-2-amino-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pentanamide
CID 119687909
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride
CID 119597382
(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361
(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide;dihydrochloride
CID 119834347
(2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide
CID 126505031
(2S)-2-amino-4-methyl-N-(3-propan-2-yloxypropyl)pentanamide
CID 61275418
(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
CID 104902575
2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide
CID 106235612

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-4-methylpentanamide;hydrochloride (CID 119779521) is (2S)-2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-4-methylpentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)NCCCN1C(=O)CNC1=O.Cl.
What is the InChIKey of (2S)-2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-4-methylpentanamide;hydrochloride?
The InChIKey is AFCPAUJEIZUKCJ-FVGYRXGTSA-N. The full InChI is InChI=1S/C12H22N4O3.ClH/c1-8(2)6-9(13)11(18)14-4-3-5-16-10(17)7-15-12(16)19;/h8-9H,3-7,13H2,1-2H3,(H,14,18)(H,15,19);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-4-methylpentanamide;hydrochloride has a molecular weight of 306.79 g/mol, XLogP of -0.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119779521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).