[(2R)-2-amino-4,4-dimethylpentyl]carbamic acid

C8H18N2O2 — CID 87077916

IUPAC[(2R)-2-amino-4,4-dimethylpentyl]carbamic acid
SMILESCC(C)(C)C[C@@H](N)CNC(=O)O
InChIInChI=1S/C8H18N2O2/c1-8(2,3)4-6(9)5-10-7(11)12/h6,10H,4-5,9H2,1-3H3,(H,11,12)/t6-/m1/s1
InChIKeyRASDEZDPSYGTNU-ZCFIWIBFSA-N
MW174.24 g/mol
LogP1.02
Rot. Bonds3

About [(2R)-2-amino-4,4-dimethylpentyl]carbamic acid

[(2R)-2-amino-4,4-dimethylpentyl]carbamic acid (PubChem CID 87077916) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is [(2R)-2-amino-4,4-dimethylpentyl]carbamic acid.

Molecular Properties

Compound Name[(2R)-2-amino-4,4-dimethylpentyl]carbamic acid
PubChem CID87077916
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name[(2R)-2-amino-4,4-dimethylpentyl]carbamic acid
SMILESCC(C)(C)C[C@@H](N)CNC(=O)O
InChIInChI=1S/C8H18N2O2/c1-8(2,3)4-6(9)5-10-7(11)12/h6,10H,4-5,9H2,1-3H3,(H,11,12)/t6-/m1/s1
InChIKeyRASDEZDPSYGTNU-ZCFIWIBFSA-N
XLogP1.02
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-4,4-dimethylpentyl)-2,2-dimethylpropanamide
CID 107158412
N-(2-amino-4,4-dimethylpentyl)pyrrolidine-1-carboxamide
CID 107158894
1-(2-amino-4,4-dimethylpentyl)-3-cyclopropylurea
CID 107158915
N-(2-amino-4,4-dimethylpentyl)-3-methoxy-3-methylbutanamide
CID 107158484
1-(2-amino-4,4-dimethylpentyl)-3-(4-methylphenyl)urea
CID 107158914
[(2S)-2-amino-4-methylpentyl]carbamic acid
CID 155804554
N-(2-amino-4,4-dimethylpentyl)-2-fluoro-3-methylbenzamide
CID 107158406
N-(2-amino-4,4-dimethylpentyl)-2-phenoxyacetamide
CID 107158440
(2S)-3-[(3-amino-5,5-dimethylhexanoyl)amino]-2-hydroxypropanoic acid
CID 107835905
N-(2-amino-4,4-dimethylpentyl)-2-hydroxy-4-methylbenzamide
CID 107158602
N-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide
CID 107158461
N-(2-amino-4,4-dimethylpentyl)-2-fluoro-5-methylbenzamide
CID 107158423

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-4,4-dimethylpentyl]carbamic acid?
The IUPAC name of [(2R)-2-amino-4,4-dimethylpentyl]carbamic acid (CID 87077916) is [(2R)-2-amino-4,4-dimethylpentyl]carbamic acid.
What is the SMILES notation for [(2R)-2-amino-4,4-dimethylpentyl]carbamic acid?
The canonical SMILES for [(2R)-2-amino-4,4-dimethylpentyl]carbamic acid is CC(C)(C)C[C@@H](N)CNC(=O)O.
What is the InChIKey of [(2R)-2-amino-4,4-dimethylpentyl]carbamic acid?
The InChIKey is RASDEZDPSYGTNU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-8(2,3)4-6(9)5-10-7(11)12/h6,10H,4-5,9H2,1-3H3,(H,11,12)/t6-/m1/s1.
What are the key properties of [(2R)-2-amino-4,4-dimethylpentyl]carbamic acid?
[(2R)-2-amino-4,4-dimethylpentyl]carbamic acid has a molecular weight of 174.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-amino-4,4-dimethylpentyl]carbamic acid is sourced from PubChem (CID 87077916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).