[3-amino-1-tert-butyl-2-(carboxyamino)-4,4-dimethylpentyl]carbamic acid

C13H27N3O4 — CID 138610846

IUPAC[3-amino-1-tert-butyl-2-(carboxyamino)-4,4-dimethylpentyl]carbamic acid
SMILESCC(C)(C)C(N)C(NC(=O)O)C(NC(=O)O)C(C)(C)C
InChIInChI=1S/C13H27N3O4/c1-12(2,3)8(14)7(15-10(17)18)9(13(4,5)6)16-11(19)20/h7-9,15-16H,14H2,1-6H3,(H,17,18)(H,19,20)
InChIKeyGPOHGJNNSQVGFA-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.68
Rot. Bonds4

About [3-amino-1-tert-butyl-2-(carboxyamino)-4,4-dimethylpentyl]carbamic acid

[3-amino-1-tert-butyl-2-(carboxyamino)-4,4-dimethylpentyl]carbamic acid (PubChem CID 138610846) has the molecular formula C13H27N3O4 and a molecular weight of 289.38 g/mol. Its IUPAC name is [3-amino-1-tert-butyl-2-(carboxyamino)-4,4-dimethylpentyl]carbamic acid.

Molecular Properties

Compound Name[3-amino-1-tert-butyl-2-(carboxyamino)-4,4-dimethylpentyl]carbamic acid
PubChem CID138610846
Molecular FormulaC13H27N3O4
Molecular Weight289.38 g/mol
Exact Mass289.20
IUPAC Name[3-amino-1-tert-butyl-2-(carboxyamino)-4,4-dimethylpentyl]carbamic acid
SMILESCC(C)(C)C(N)C(NC(=O)O)C(NC(=O)O)C(C)(C)C
InChIInChI=1S/C13H27N3O4/c1-12(2,3)8(14)7(15-10(17)18)9(13(4,5)6)16-11(19)20/h7-9,15-16H,14H2,1-6H3,(H,17,18)(H,19,20)
InChIKeyGPOHGJNNSQVGFA-UHFFFAOYSA-N
XLogP1.68
TPSA124.68 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-amino-3,3-dimethyl-1-phenylbutan-2-yl]carbamic acid
CID 69021650
2,3-diamino-4,4-dimethylpentanoic acid
CID 116942173
[1-amino-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-2-yl]carbamic acid
CID 69024985
(1-amino-1-methoxypropan-2-yl)carbamic acid
CID 87325359
4-amino-3,5,5-trimethylhexanoic acid
CID 116938121
(1-hydroxy-3,3-dimethyl-1-piperidin-4-ylbutan-2-yl)carbamic acid
CID 69483125
[(2S)-3-aminooxy-4,4-dimethylpentan-2-yl]carbamic acid
CID 87267529
carbanide;(2S)-2-(carboxyamino)-3,3-dimethylbutanoic acid;cerium(3+)
CID 166560279
[1-amino-4,4-dimethyl-2-[[(3S)-oxan-3-yl]methyl]pentan-3-yl]carbamic acid
CID 67253327
[1-(4-acetylcyclohexyl)-2,2-dimethylpropyl]carbamic acid
CID 175158520
4,4-dimethyl-3-(methylamino)-2-propan-2-ylpentanoic acid
CID 116959763
[(2R)-3-hydroxy-3-methylbutan-2-yl]carbamic acid
CID 129021869

Frequently Asked Questions

What is the IUPAC name of [3-amino-1-tert-butyl-2-(carboxyamino)-4,4-dimethylpentyl]carbamic acid?
The IUPAC name of [3-amino-1-tert-butyl-2-(carboxyamino)-4,4-dimethylpentyl]carbamic acid (CID 138610846) is [3-amino-1-tert-butyl-2-(carboxyamino)-4,4-dimethylpentyl]carbamic acid.
What is the SMILES notation for [3-amino-1-tert-butyl-2-(carboxyamino)-4,4-dimethylpentyl]carbamic acid?
The canonical SMILES for [3-amino-1-tert-butyl-2-(carboxyamino)-4,4-dimethylpentyl]carbamic acid is CC(C)(C)C(N)C(NC(=O)O)C(NC(=O)O)C(C)(C)C.
What is the InChIKey of [3-amino-1-tert-butyl-2-(carboxyamino)-4,4-dimethylpentyl]carbamic acid?
The InChIKey is GPOHGJNNSQVGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O4/c1-12(2,3)8(14)7(15-10(17)18)9(13(4,5)6)16-11(19)20/h7-9,15-16H,14H2,1-6H3,(H,17,18)(H,19,20).
What are the key properties of [3-amino-1-tert-butyl-2-(carboxyamino)-4,4-dimethylpentyl]carbamic acid?
[3-amino-1-tert-butyl-2-(carboxyamino)-4,4-dimethylpentyl]carbamic acid has a molecular weight of 289.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-1-tert-butyl-2-(carboxyamino)-4,4-dimethylpentyl]carbamic acid is sourced from PubChem (CID 138610846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).