methyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate

C8H16N2O3 — CID 88576811

IUPACmethyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](C(N)=O)C(C)(C)C
InChIInChI=1S/C8H16N2O3/c1-8(2,3)5(6(9)11)10-7(12)13-4/h5H,1-4H3,(H2,9,11)(H,10,12)/t5-/m0/s1
InChIKeySKLDSZRPZGLODA-YFKPBYRVSA-N
MW188.23 g/mol
LogP0.24
Rot. Bonds2

About methyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate

methyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate (PubChem CID 88576811) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is methyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate
PubChem CID88576811
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Namemethyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](C(N)=O)C(C)(C)C
InChIInChI=1S/C8H16N2O3/c1-8(2,3)5(6(9)11)10-7(12)13-4/h5H,1-4H3,(H2,9,11)(H,10,12)/t5-/m0/s1
InChIKeySKLDSZRPZGLODA-YFKPBYRVSA-N
XLogP0.24
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

hydrazine;(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 86656444
2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 10330133
methyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate
CID 58257381
(2S)-2-(carbamoylamino)-3,3-dimethylbutanamide
CID 130628762
(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoate
CID 27282404
2-[[(2S)-2-aminopropanoyl]amino]-3,3-dimethylbutanamide
CID 119320423
2-(4-aminobutanoylamino)-3,3-dimethylbutanamide;hydrochloride
CID 119320432
2-[[2-(cyclopropylmethylamino)acetyl]amino]-3,3-dimethylbutanamide
CID 119778156
tert-butyl N-[(2S)-1-[carbamoyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 87212977
tert-butyl N-(2,2-dimethyl-4-oxopentan-3-yl)carbamate;ethane
CID 145466117
tert-butyl N-[(2R)-1-fluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 86760074
[3-methoxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl] 3-methoxy-2-(methoxycarbonylamino)-3-methylbutanoate
CID 90435595

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of methyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate (CID 88576811) is methyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate is COC(=O)N[C@@H](C(N)=O)C(C)(C)C.
What is the InChIKey of methyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The InChIKey is SKLDSZRPZGLODA-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-8(2,3)5(6(9)11)10-7(12)13-4/h5H,1-4H3,(H2,9,11)(H,10,12)/t5-/m0/s1.
What are the key properties of methyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
methyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate has a molecular weight of 188.23 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 88576811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).