methyl N-(4-hydroxy-2-methylbutyl)carbamate

C7H15NO3 — CID 66107566

IUPACmethyl N-(4-hydroxy-2-methylbutyl)carbamate
SMILESCOC(=O)NCC(C)CCO
InChIInChI=1S/C7H15NO3/c1-6(3-4-9)5-8-7(10)11-2/h6,9H,3-5H2,1-2H3,(H,8,10)
InChIKeyYDGSYAHFMHOUNW-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.36
Rot. Bonds4

About methyl N-(4-hydroxy-2-methylbutyl)carbamate

methyl N-(4-hydroxy-2-methylbutyl)carbamate (PubChem CID 66107566) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is methyl N-(4-hydroxy-2-methylbutyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-hydroxy-2-methylbutyl)carbamate
PubChem CID66107566
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Namemethyl N-(4-hydroxy-2-methylbutyl)carbamate
SMILESCOC(=O)NCC(C)CCO
InChIInChI=1S/C7H15NO3/c1-6(3-4-9)5-8-7(10)11-2/h6,9H,3-5H2,1-2H3,(H,8,10)
InChIKeyYDGSYAHFMHOUNW-UHFFFAOYSA-N
XLogP0.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl N-(4-hydroxy-2-methylbutyl)carbamate
CID 66106917
5-(methoxycarbonylamino)-4-methylpentanoic acid
CID 82017023
methyl N-(3-methoxy-2-methylpropyl)carbamate
CID 115593989
2-amino-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66089038
2-bromo-N-(4-hydroxy-2-methylbutyl)propanamide
CID 107905413
2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66089686
2-amino-N-(4-hydroxy-2-methylbutyl)-3-methoxypropanamide
CID 81102467
2-amino-N-(4-hydroxy-2-methylbutyl)-3-methylbutanamide
CID 66090902
N-(4-hydroxy-2-methylbutyl)-3,3-dimethylbutanamide
CID 66106193
N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenoxy)propanamide
CID 66109025
N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide
CID 66106188
methyl N-[5-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
CID 163815287

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-hydroxy-2-methylbutyl)carbamate?
The IUPAC name of methyl N-(4-hydroxy-2-methylbutyl)carbamate (CID 66107566) is methyl N-(4-hydroxy-2-methylbutyl)carbamate.
What is the SMILES notation for methyl N-(4-hydroxy-2-methylbutyl)carbamate?
The canonical SMILES for methyl N-(4-hydroxy-2-methylbutyl)carbamate is COC(=O)NCC(C)CCO.
What is the InChIKey of methyl N-(4-hydroxy-2-methylbutyl)carbamate?
The InChIKey is YDGSYAHFMHOUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-6(3-4-9)5-8-7(10)11-2/h6,9H,3-5H2,1-2H3,(H,8,10).
What are the key properties of methyl N-(4-hydroxy-2-methylbutyl)carbamate?
methyl N-(4-hydroxy-2-methylbutyl)carbamate has a molecular weight of 161.20 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-hydroxy-2-methylbutyl)carbamate is sourced from PubChem (CID 66107566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).