(2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,3-dimethylbutanamide;hydrochloride

C11H24ClN3O2 — CID 119736012

IUPAC(2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(CNC(=O)[C@@H](N)C(C)(C)C)C(N)=O.Cl
InChIInChI=1S/C11H23N3O2.ClH/c1-10(2,3)7(12)8(15)14-6-11(4,5)9(13)16;/h7H,6,12H2,1-5H3,(H2,13,16)(H,14,15);1H/t7-;/m1./s1
InChIKeyMDNMRGMUKPJKHX-OGFXRTJISA-N
MW265.79 g/mol
LogP0.41
Rot. Bonds4

About (2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,3-dimethylbutanamide;hydrochloride

(2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,3-dimethylbutanamide;hydrochloride (PubChem CID 119736012) has the molecular formula C11H24ClN3O2 and a molecular weight of 265.79 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,3-dimethylbutanamide;hydrochloride
PubChem CID119736012
Molecular FormulaC11H24ClN3O2
Molecular Weight265.79 g/mol
Exact Mass265.16
IUPAC Name(2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(CNC(=O)[C@@H](N)C(C)(C)C)C(N)=O.Cl
InChIInChI=1S/C11H23N3O2.ClH/c1-10(2,3)7(12)8(15)14-6-11(4,5)9(13)16;/h7H,6,12H2,1-5H3,(H2,13,16)(H,14,15);1H/t7-;/m1./s1
InChIKeyMDNMRGMUKPJKHX-OGFXRTJISA-N
XLogP0.41
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methylbutanamide;hydrochloride
CID 119296292
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119830610
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4,4-dimethylpentanamide
CID 114167246
(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethylbutanamide
CID 115360318
(2R)-2-amino-N-(2,3-dihydroxy-2-methylpropyl)-3,3-dimethylbutanamide
CID 103930127
2-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-2-ethylbutanoic acid
CID 113308619
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696
N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide
CID 76893602
(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 103808439
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride
CID 119296279
(2S)-2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3,3-dimethylbutanamide
CID 114150116
(2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 64598491

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,3-dimethylbutanamide;hydrochloride (CID 119736012) is (2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,3-dimethylbutanamide;hydrochloride is CC(C)(CNC(=O)[C@@H](N)C(C)(C)C)C(N)=O.Cl.
What is the InChIKey of (2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is MDNMRGMUKPJKHX-OGFXRTJISA-N. The full InChI is InChI=1S/C11H23N3O2.ClH/c1-10(2,3)7(12)8(15)14-6-11(4,5)9(13)16;/h7H,6,12H2,1-5H3,(H2,13,16)(H,14,15);1H/t7-;/m1./s1.
What are the key properties of (2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,3-dimethylbutanamide;hydrochloride?
(2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 265.79 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119736012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).