tert-butyl N-[(2S)-2-amino-4-methylpentanoyl]-N-methylcarbamate

C12H24N2O3 — CID 154001260

IUPACtert-butyl N-[(2S)-2-amino-4-methylpentanoyl]-N-methylcarbamate
SMILESCC(C)C[C@H](N)C(=O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-8(2)7-9(13)10(15)14(6)11(16)17-12(3,4)5/h8-9H,7,13H2,1-6H3/t9-/m0/s1
InChIKeyLPYQUODYJBPEQN-VIFPVBQESA-N
MW244.33 g/mol
LogP1.75
Rot. Bonds3

About tert-butyl N-[(2S)-2-amino-4-methylpentanoyl]-N-methylcarbamate

tert-butyl N-[(2S)-2-amino-4-methylpentanoyl]-N-methylcarbamate (PubChem CID 154001260) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-amino-4-methylpentanoyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-amino-4-methylpentanoyl]-N-methylcarbamate
PubChem CID154001260
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl N-[(2S)-2-amino-4-methylpentanoyl]-N-methylcarbamate
SMILESCC(C)C[C@H](N)C(=O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-8(2)7-9(13)10(15)14(6)11(16)17-12(3,4)5/h8-9H,7,13H2,1-6H3/t9-/m0/s1
InChIKeyLPYQUODYJBPEQN-VIFPVBQESA-N
XLogP1.75
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2S)-2-amino-4-methylpentanoyl]-N-methylcarbamate 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)-2-amino-4-methylpentanoyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(2S)-2-amino-4-methylpentanoyl]-N-methylcarbamate (CID 154001260) is tert-butyl N-[(2S)-2-amino-4-methylpentanoyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-amino-4-methylpentanoyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-amino-4-methylpentanoyl]-N-methylcarbamate is CC(C)C[C@H](N)C(=O)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-2-amino-4-methylpentanoyl]-N-methylcarbamate?
The InChIKey is LPYQUODYJBPEQN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(2)7-9(13)10(15)14(6)11(16)17-12(3,4)5/h8-9H,7,13H2,1-6H3/t9-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-amino-4-methylpentanoyl]-N-methylcarbamate?
tert-butyl N-[(2S)-2-amino-4-methylpentanoyl]-N-methylcarbamate has a molecular weight of 244.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-amino-4-methylpentanoyl]-N-methylcarbamate is sourced from PubChem (CID 154001260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).