2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylpentanamide;hydrochloride

C13H26ClN3O2 — CID 119728342

IUPAC2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCCCC(=O)NC1CC1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-3-9(2)12(14)13(18)15-8-4-5-11(17)16-10-6-7-10;/h9-10,12H,3-8,14H2,1-2H3,(H,15,18)(H,16,17);1H
InChIKeyUVVIWVQKARIKLM-UHFFFAOYSA-N
MW291.82 g/mol
LogP0.96
Rot. Bonds8

About 2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylpentanamide;hydrochloride

2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylpentanamide;hydrochloride (PubChem CID 119728342) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is 2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylpentanamide;hydrochloride
PubChem CID119728342
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC Name2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCCCC(=O)NC1CC1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-3-9(2)12(14)13(18)15-8-4-5-11(17)16-10-6-7-10;/h9-10,12H,3-8,14H2,1-2H3,(H,15,18)(H,16,17);1H
InChIKeyUVVIWVQKARIKLM-UHFFFAOYSA-N
XLogP0.96
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide
CID 79401766
2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
N-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide
CID 107032147
2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 113407095
N-[4-(cyclopropylamino)-4-oxobutyl]-2-methyl-3-(methylamino)propanamide
CID 79400697
2-cyano-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide
CID 79401012
7-[[(2S)-2-amino-3-methylpentanoyl]amino]heptanoic acid
CID 61172355
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide
CID 119724279
2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide
CID 43515321
2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 119677886

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylpentanamide;hydrochloride (CID 119728342) is 2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)NCCCC(=O)NC1CC1.Cl.
What is the InChIKey of 2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylpentanamide;hydrochloride?
The InChIKey is UVVIWVQKARIKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-3-9(2)12(14)13(18)15-8-4-5-11(17)16-10-6-7-10;/h9-10,12H,3-8,14H2,1-2H3,(H,15,18)(H,16,17);1H.
What are the key properties of 2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylpentanamide;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 0.96, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119728342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).