tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate

C10H20N2O3 — CID 11367915

IUPACtert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C10H20N2O3/c1-6(2)7(8(11)13)12-9(14)15-10(3,4)5/h6-7H,1-5H3,(H2,11,13)(H,12,14)
InChIKeyNZSZYROZOXUFSG-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.02
Rot. Bonds3

About tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate

tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate (PubChem CID 11367915) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
PubChem CID11367915
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C10H20N2O3/c1-6(2)7(8(11)13)12-9(14)15-10(3,4)5/h6-7H,1-5H3,(H2,11,13)(H,12,14)
InChIKeyNZSZYROZOXUFSG-UHFFFAOYSA-N
XLogP1.02
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 7410696
methyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoate
CID 5191446
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 7015295
tert-butyl N-[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 74082031
potassium 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 23672899
chloromethyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 18629485
tert-butyl N-[(3R)-2-methyl-4-oxohexan-3-yl]carbamate
CID 58418547
tert-butyl N-[(3S,4R)-1-amino-4-hydroxy-1,2-dioxopentan-3-yl]carbamate
CID 130405478
dimethyl (2S,3R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 10474650
tert-butyl N-(1-amino-3,3-dicyclopropyl-1-oxopropan-2-yl)carbamate
CID 166470828
(2S)-5-amino-3,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 102156113
tert-butyl N-(1-amino-3-dioxidophosphinothioyloxy-1-oxobutan-2-yl)carbamate
CID 23420364

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate (CID 11367915) is tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate is CC(C)C(NC(=O)OC(C)(C)C)C(N)=O.
What is the InChIKey of tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate?
The InChIKey is NZSZYROZOXUFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-6(2)7(8(11)13)12-9(14)15-10(3,4)5/h6-7H,1-5H3,(H2,11,13)(H,12,14).
What are the key properties of tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate?
tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate has a molecular weight of 216.28 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate is sourced from PubChem (CID 11367915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).