[(2S)-butan-2-yl] N-[(2S)-2-amino-3-methylbutanoyl]-N-(1-cyclohexylethyl)carbamate

C18H34N2O3 — CID 67719389

IUPAC[(2S)-butan-2-yl] N-[(2S)-2-amino-3-methylbutanoyl]-N-(1-cyclohexylethyl)carbamate
SMILESCC[C@H](C)OC(=O)N(C(=O)[C@@H](N)C(C)C)C(C)C1CCCCC1
InChIInChI=1S/C18H34N2O3/c1-6-13(4)23-18(22)20(17(21)16(19)12(2)3)14(5)15-10-8-7-9-11-15/h12-16H,6-11,19H2,1-5H3/t13-,14?,16-/m0/s1
InChIKeyMPUWZGBMPDABTB-SFIRGFGWSA-N
MW326.48 g/mol
LogP3.70
Rot. Bonds6

About [(2S)-butan-2-yl] N-[(2S)-2-amino-3-methylbutanoyl]-N-(1-cyclohexylethyl)carbamate

[(2S)-butan-2-yl] N-[(2S)-2-amino-3-methylbutanoyl]-N-(1-cyclohexylethyl)carbamate (PubChem CID 67719389) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is [(2S)-butan-2-yl] N-[(2S)-2-amino-3-methylbutanoyl]-N-(1-cyclohexylethyl)carbamate.

Molecular Properties

Compound Name[(2S)-butan-2-yl] N-[(2S)-2-amino-3-methylbutanoyl]-N-(1-cyclohexylethyl)carbamate
PubChem CID67719389
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Name[(2S)-butan-2-yl] N-[(2S)-2-amino-3-methylbutanoyl]-N-(1-cyclohexylethyl)carbamate
SMILESCC[C@H](C)OC(=O)N(C(=O)[C@@H](N)C(C)C)C(C)C1CCCCC1
InChIInChI=1S/C18H34N2O3/c1-6-13(4)23-18(22)20(17(21)16(19)12(2)3)14(5)15-10-8-7-9-11-15/h12-16H,6-11,19H2,1-5H3/t13-,14?,16-/m0/s1
InChIKeyMPUWZGBMPDABTB-SFIRGFGWSA-N
XLogP3.70
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-butan-2-yl] N-[(2S)-2-amino-3-methylbutanoyl]-N-(1-cyclohexylethyl)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 [(2S)-butan-2-yl] N-[(2S)-2-amino-3-methylbutanoyl]-N-(1-cyclohexylethyl)carbamate?
The IUPAC name of [(2S)-butan-2-yl] N-[(2S)-2-amino-3-methylbutanoyl]-N-(1-cyclohexylethyl)carbamate (CID 67719389) is [(2S)-butan-2-yl] N-[(2S)-2-amino-3-methylbutanoyl]-N-(1-cyclohexylethyl)carbamate.
What is the SMILES notation for [(2S)-butan-2-yl] N-[(2S)-2-amino-3-methylbutanoyl]-N-(1-cyclohexylethyl)carbamate?
The canonical SMILES for [(2S)-butan-2-yl] N-[(2S)-2-amino-3-methylbutanoyl]-N-(1-cyclohexylethyl)carbamate is CC[C@H](C)OC(=O)N(C(=O)[C@@H](N)C(C)C)C(C)C1CCCCC1.
What is the InChIKey of [(2S)-butan-2-yl] N-[(2S)-2-amino-3-methylbutanoyl]-N-(1-cyclohexylethyl)carbamate?
The InChIKey is MPUWZGBMPDABTB-SFIRGFGWSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-6-13(4)23-18(22)20(17(21)16(19)12(2)3)14(5)15-10-8-7-9-11-15/h12-16H,6-11,19H2,1-5H3/t13-,14?,16-/m0/s1.
What are the key properties of [(2S)-butan-2-yl] N-[(2S)-2-amino-3-methylbutanoyl]-N-(1-cyclohexylethyl)carbamate?
[(2S)-butan-2-yl] N-[(2S)-2-amino-3-methylbutanoyl]-N-(1-cyclohexylethyl)carbamate has a molecular weight of 326.48 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-butan-2-yl] N-[(2S)-2-amino-3-methylbutanoyl]-N-(1-cyclohexylethyl)carbamate is sourced from PubChem (CID 67719389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).