2-(4-aminobutanoylamino)-3,3-dimethylbutanamide;hydrochloride

C10H22ClN3O2 — CID 119320432

IUPAC2-(4-aminobutanoylamino)-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)C(NC(=O)CCCN)C(N)=O.Cl
InChIInChI=1S/C10H21N3O2.ClH/c1-10(2,3)8(9(12)15)13-7(14)5-4-6-11;/h8H,4-6,11H2,1-3H3,(H2,12,15)(H,13,14);1H
InChIKeyYNHRXILFKGBINN-UHFFFAOYSA-N
MW251.76 g/mol
LogP0.16
Rot. Bonds5

About 2-(4-aminobutanoylamino)-3,3-dimethylbutanamide;hydrochloride

2-(4-aminobutanoylamino)-3,3-dimethylbutanamide;hydrochloride (PubChem CID 119320432) has the molecular formula C10H22ClN3O2 and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-(4-aminobutanoylamino)-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminobutanoylamino)-3,3-dimethylbutanamide;hydrochloride
PubChem CID119320432
Molecular FormulaC10H22ClN3O2
Molecular Weight251.76 g/mol
Exact Mass251.14
IUPAC Name2-(4-aminobutanoylamino)-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)C(NC(=O)CCCN)C(N)=O.Cl
InChIInChI=1S/C10H21N3O2.ClH/c1-10(2,3)8(9(12)15)13-7(14)5-4-6-11;/h8H,4-6,11H2,1-3H3,(H2,12,15)(H,13,14);1H
InChIKeyYNHRXILFKGBINN-UHFFFAOYSA-N
XLogP0.16
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-2-(4-aminobutanoylamino)-3,3-dimethylbutanoyl]oxyacetic acid
CID 88551585
(2S)-2-(carbamoylamino)-3,3-dimethylbutanamide
CID 130628762
7-amino-N-(3-methylbutan-2-yl)heptanamide;hydrochloride
CID 119678384
4-amino-N-(4-methoxy-4-methylpentan-2-yl)butanamide
CID 119334828
4-amino-N-(1,3-dihydroxypropan-2-yl)butanamide
CID 65314276
methyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 88576811
2-[(2-anilinoacetyl)amino]-3,3-dimethylbutanamide;hydrochloride
CID 119778151
3,3-dimethyl-2-[4-(methylamino)butanoylamino]butanoic acid
CID 61161007
tert-butyl (2S)-6-amino-2-(4-aminobutanoylamino)hexanoate
CID 164575019
2-[[(2S)-2-aminopropanoyl]amino]-3,3-dimethylbutanamide
CID 119320423
7-amino-N-(5,5-dimethylhexan-2-yl)heptanamide
CID 119796530
4-amino-N-(3-methylpentan-2-yl)butanamide
CID 61464020

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutanoylamino)-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of 2-(4-aminobutanoylamino)-3,3-dimethylbutanamide;hydrochloride (CID 119320432) is 2-(4-aminobutanoylamino)-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for 2-(4-aminobutanoylamino)-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for 2-(4-aminobutanoylamino)-3,3-dimethylbutanamide;hydrochloride is CC(C)(C)C(NC(=O)CCCN)C(N)=O.Cl.
What is the InChIKey of 2-(4-aminobutanoylamino)-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is YNHRXILFKGBINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2.ClH/c1-10(2,3)8(9(12)15)13-7(14)5-4-6-11;/h8H,4-6,11H2,1-3H3,(H2,12,15)(H,13,14);1H.
What are the key properties of 2-(4-aminobutanoylamino)-3,3-dimethylbutanamide;hydrochloride?
2-(4-aminobutanoylamino)-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutanoylamino)-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119320432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).