(2R)-N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylpentanamide;hydrochloride

C12H27ClN4O2 — CID 119655370

IUPAC(2R)-N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylpentanamide;hydrochloride
SMILESCCC[C@@H](NC(N)=O)C(=O)N(C)CC(C)(C)CN.Cl
InChIInChI=1S/C12H26N4O2.ClH/c1-5-6-9(15-11(14)18)10(17)16(4)8-12(2,3)7-13;/h9H,5-8,13H2,1-4H3,(H3,14,15,18);1H/t9-;/m1./s1
InChIKeyXHQMHFDKOFAERQ-SBSPUUFOSA-N
MW294.83 g/mol
LogP0.69
Rot. Bonds7

About (2R)-N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylpentanamide;hydrochloride

(2R)-N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylpentanamide;hydrochloride (PubChem CID 119655370) has the molecular formula C12H27ClN4O2 and a molecular weight of 294.83 g/mol. Its IUPAC name is (2R)-N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylpentanamide;hydrochloride
PubChem CID119655370
Molecular FormulaC12H27ClN4O2
Molecular Weight294.83 g/mol
Exact Mass294.18
IUPAC Name(2R)-N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylpentanamide;hydrochloride
SMILESCCC[C@@H](NC(N)=O)C(=O)N(C)CC(C)(C)CN.Cl
InChIInChI=1S/C12H26N4O2.ClH/c1-5-6-9(15-11(14)18)10(17)16(4)8-12(2,3)7-13;/h9H,5-8,13H2,1-4H3,(H3,14,15,18);1H/t9-;/m1./s1
InChIKeyXHQMHFDKOFAERQ-SBSPUUFOSA-N
XLogP0.69
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylhexanamide;hydrochloride
CID 119653315
2-(carbamoylamino)pentanamide;hydrochloride
CID 155195679
N-(3-amino-2,2-dimethylpropyl)-2,2-difluoro-N-methylacetamide
CID 103514230
N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 119656130
ethyl 2-[(3-amino-2,2-dimethylpropyl)-methylamino]pentanoate
CID 83049338
1-(3-amino-2,2-dimethylpropyl)-1,3,3-trimethylurea
CID 79652129
(2R)-2-(carbamoylamino)-N-[2-(dimethylamino)-2-oxoethyl]pentanamide
CID 94200506
(2R)-2-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylpentanamide
CID 119552995
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethylbutanamide
CID 79652395
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropanamide
CID 114028856
1-(3-amino-2,2-dimethylpropyl)-3-cyclopropyl-1-methylurea
CID 79652798
N-(3-amino-2,2-dimethylpropyl)-N-methylnonanamide
CID 79652123

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylpentanamide;hydrochloride?
The IUPAC name of (2R)-N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylpentanamide;hydrochloride (CID 119655370) is (2R)-N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylpentanamide;hydrochloride.
What is the SMILES notation for (2R)-N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylpentanamide;hydrochloride?
The canonical SMILES for (2R)-N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylpentanamide;hydrochloride is CCC[C@@H](NC(N)=O)C(=O)N(C)CC(C)(C)CN.Cl.
What is the InChIKey of (2R)-N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylpentanamide;hydrochloride?
The InChIKey is XHQMHFDKOFAERQ-SBSPUUFOSA-N. The full InChI is InChI=1S/C12H26N4O2.ClH/c1-5-6-9(15-11(14)18)10(17)16(4)8-12(2,3)7-13;/h9H,5-8,13H2,1-4H3,(H3,14,15,18);1H/t9-;/m1./s1.
What are the key properties of (2R)-N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylpentanamide;hydrochloride?
(2R)-N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylpentanamide;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylpentanamide;hydrochloride is sourced from PubChem (CID 119655370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).