ethyl N-[2-(hydroxymethyl)-4-methylpentyl]carbamate

C10H21NO3 — CID 54062822

IUPACethyl N-[2-(hydroxymethyl)-4-methylpentyl]carbamate
SMILESCCOC(=O)NCC(CO)CC(C)C
InChIInChI=1S/C10H21NO3/c1-4-14-10(13)11-6-9(7-12)5-8(2)3/h8-9,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyCMQPEQXIYRFNAB-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.39
Rot. Bonds6

About ethyl N-[2-(hydroxymethyl)-4-methylpentyl]carbamate

ethyl N-[2-(hydroxymethyl)-4-methylpentyl]carbamate (PubChem CID 54062822) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is ethyl N-[2-(hydroxymethyl)-4-methylpentyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(hydroxymethyl)-4-methylpentyl]carbamate
PubChem CID54062822
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nameethyl N-[2-(hydroxymethyl)-4-methylpentyl]carbamate
SMILESCCOC(=O)NCC(CO)CC(C)C
InChIInChI=1S/C10H21NO3/c1-4-14-10(13)11-6-9(7-12)5-8(2)3/h8-9,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyCMQPEQXIYRFNAB-UHFFFAOYSA-N
XLogP1.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(hydroxymethyl)-4-methylpentyl]carbamate?
The IUPAC name of ethyl N-[2-(hydroxymethyl)-4-methylpentyl]carbamate (CID 54062822) is ethyl N-[2-(hydroxymethyl)-4-methylpentyl]carbamate.
What is the SMILES notation for ethyl N-[2-(hydroxymethyl)-4-methylpentyl]carbamate?
The canonical SMILES for ethyl N-[2-(hydroxymethyl)-4-methylpentyl]carbamate is CCOC(=O)NCC(CO)CC(C)C.
What is the InChIKey of ethyl N-[2-(hydroxymethyl)-4-methylpentyl]carbamate?
The InChIKey is CMQPEQXIYRFNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-14-10(13)11-6-9(7-12)5-8(2)3/h8-9,12H,4-7H2,1-3H3,(H,11,13).
What are the key properties of ethyl N-[2-(hydroxymethyl)-4-methylpentyl]carbamate?
ethyl N-[2-(hydroxymethyl)-4-methylpentyl]carbamate has a molecular weight of 203.28 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(hydroxymethyl)-4-methylpentyl]carbamate is sourced from PubChem (CID 54062822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).