tert-butyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate

C11H22N2O3 — CID 7201299

IUPACtert-butyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C11H22N2O3/c1-7(2)6-8(9(12)14)13-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H2,12,14)(H,13,15)/t8-/m0/s1
InChIKeyLJPDJTPZNJKXPW-QMMMGPOBSA-N
MW230.31 g/mol
LogP1.41
Rot. Bonds4

About tert-butyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate

tert-butyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 7201299) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID7201299
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)C(N)=O
InChIInChI=1S/C11H22N2O3/c1-7(2)6-8(9(12)14)13-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H2,12,14)(H,13,15)/t8-/m0/s1
InChIKeyLJPDJTPZNJKXPW-QMMMGPOBSA-N
XLogP1.41
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate (CID 7201299) is tert-butyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)OC(C)(C)C)C(N)=O.
What is the InChIKey of tert-butyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is LJPDJTPZNJKXPW-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7(2)6-8(9(12)14)13-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H2,12,14)(H,13,15)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate?
tert-butyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 230.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 7201299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).