[(2S)-1-(3,3-dimethylbutylamino)-1-oxopropan-2-yl]carbamic acid

C10H20N2O3 — CID 142903182

IUPAC[(2S)-1-(3,3-dimethylbutylamino)-1-oxopropan-2-yl]carbamic acid
SMILESC[C@H](NC(=O)O)C(=O)NCCC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-7(12-9(14)15)8(13)11-6-5-10(2,3)4/h7,12H,5-6H2,1-4H3,(H,11,13)(H,14,15)/t7-/m0/s1
InChIKeyXBABOWPCZYWLFZ-ZETCQYMHSA-N
MW216.28 g/mol
LogP1.19
Rot. Bonds4

About [(2S)-1-(3,3-dimethylbutylamino)-1-oxopropan-2-yl]carbamic acid

[(2S)-1-(3,3-dimethylbutylamino)-1-oxopropan-2-yl]carbamic acid (PubChem CID 142903182) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is [(2S)-1-(3,3-dimethylbutylamino)-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-(3,3-dimethylbutylamino)-1-oxopropan-2-yl]carbamic acid
PubChem CID142903182
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name[(2S)-1-(3,3-dimethylbutylamino)-1-oxopropan-2-yl]carbamic acid
SMILESC[C@H](NC(=O)O)C(=O)NCCC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-7(12-9(14)15)8(13)11-6-5-10(2,3)4/h7,12H,5-6H2,1-4H3,(H,11,13)(H,14,15)/t7-/m0/s1
InChIKeyXBABOWPCZYWLFZ-ZETCQYMHSA-N
XLogP1.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-fluoroethylamino)-1-oxopropan-2-yl]carbamic acid
CID 90216384
2-acetamido-N-(4,4-dimethylpentyl)propanamide
CID 162466533
2-(2-acetamidopropanoylamino)ethylcarbamic acid
CID 19805667
(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 103808439
[(2S)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamic acid
CID 70494365
[(2R)-1-hydrazinyl-1-oxopropan-2-yl]carbamic acid
CID 90311881
tert-butyl N-[1-(2,2-dimethylpropylamino)-1-oxopropan-2-yl]carbamate
CID 126708064
4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]butanoic acid
CID 59775131
N-(3,3-dimethylbutyl)-2-hydroxyacetamide
CID 115140033
2-amino-N-(3,3-dimethylbutyl)pentanamide
CID 112687728
tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate
CID 10824212
2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 119913153

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3,3-dimethylbutylamino)-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-(3,3-dimethylbutylamino)-1-oxopropan-2-yl]carbamic acid (CID 142903182) is [(2S)-1-(3,3-dimethylbutylamino)-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-(3,3-dimethylbutylamino)-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-(3,3-dimethylbutylamino)-1-oxopropan-2-yl]carbamic acid is C[C@H](NC(=O)O)C(=O)NCCC(C)(C)C.
What is the InChIKey of [(2S)-1-(3,3-dimethylbutylamino)-1-oxopropan-2-yl]carbamic acid?
The InChIKey is XBABOWPCZYWLFZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(12-9(14)15)8(13)11-6-5-10(2,3)4/h7,12H,5-6H2,1-4H3,(H,11,13)(H,14,15)/t7-/m0/s1.
What are the key properties of [(2S)-1-(3,3-dimethylbutylamino)-1-oxopropan-2-yl]carbamic acid?
[(2S)-1-(3,3-dimethylbutylamino)-1-oxopropan-2-yl]carbamic acid has a molecular weight of 216.28 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3,3-dimethylbutylamino)-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 142903182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).