benzyl carbamate;4-methylpentanoic acid

C14H21NO4 — CID 144902087

IUPACbenzyl carbamate;4-methylpentanoic acid
SMILESCC(C)CCC(=O)O.NC(=O)OCc1ccccc1
InChIInChI=1S/C8H9NO2.C6H12O2/c9-8(10)11-6-7-4-2-1-3-5-7;1-5(2)3-4-6(7)8/h1-5H,6H2,(H2,9,10);5H,3-4H2,1-2H3,(H,7,8)
InChIKeyDLWPWCYGKFFFQE-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.79
Rot. Bonds5

About benzyl carbamate;4-methylpentanoic acid

benzyl carbamate;4-methylpentanoic acid (PubChem CID 144902087) has the molecular formula C14H21NO4 and a molecular weight of 267.33 g/mol. Its IUPAC name is benzyl carbamate;4-methylpentanoic acid.

Molecular Properties

Compound Namebenzyl carbamate;4-methylpentanoic acid
PubChem CID144902087
Molecular FormulaC14H21NO4
Molecular Weight267.33 g/mol
Exact Mass267.15
IUPAC Namebenzyl carbamate;4-methylpentanoic acid
SMILESCC(C)CCC(=O)O.NC(=O)OCc1ccccc1
InChIInChI=1S/C8H9NO2.C6H12O2/c9-8(10)11-6-7-4-2-1-3-5-7;1-5(2)3-4-6(7)8/h1-5H,6H2,(H2,9,10);5H,3-4H2,1-2H3,(H,7,8)
InChIKeyDLWPWCYGKFFFQE-UHFFFAOYSA-N
XLogP2.79
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze benzyl carbamate;4-methylpentanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

benzyl 5-methyl-2-oxohexanoate
CID 18370146
benzyl carbamate;heptahydrochloride
CID 141351835
(4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid
CID 7009632
benzyl carbamate;tert-butyl carbamate;3-phenylpropanoic acid
CID 143560152
(4S)-4-(methylamino)-5-oxo-5-phenylmethoxypentanoic acid
CID 59366990
benzyl carbamate;2-phenylsulfanylpropanoic acid
CID 18690490
benzyl 3-hydroxy-6-methylheptanoate
CID 10824589
4-phenylmethoxycarbonyloctanoic acid
CID 68803226
(4S)-5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 6992292
(2S)-2-amino-3-hydroxypropanoic acid;benzyl carbamate
CID 67874309
(4-phenylphenyl)methyl carbamate
CID 123751479
benzyl (2S)-2-aminopropanoate
CID 726858

Frequently Asked Questions

What is the IUPAC name of benzyl carbamate;4-methylpentanoic acid?
The IUPAC name of benzyl carbamate;4-methylpentanoic acid (CID 144902087) is benzyl carbamate;4-methylpentanoic acid.
What is the SMILES notation for benzyl carbamate;4-methylpentanoic acid?
The canonical SMILES for benzyl carbamate;4-methylpentanoic acid is CC(C)CCC(=O)O.NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl carbamate;4-methylpentanoic acid?
The InChIKey is DLWPWCYGKFFFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C6H12O2/c9-8(10)11-6-7-4-2-1-3-5-7;1-5(2)3-4-6(7)8/h1-5H,6H2,(H2,9,10);5H,3-4H2,1-2H3,(H,7,8).
What are the key properties of benzyl carbamate;4-methylpentanoic acid?
benzyl carbamate;4-methylpentanoic acid has a molecular weight of 267.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl carbamate;4-methylpentanoic acid is sourced from PubChem (CID 144902087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).