(2-methylcyclopropyl)methyl N-(2-hydroxyethyl)carbamate

C8H15NO3 — CID 118000449

IUPAC(2-methylcyclopropyl)methyl N-(2-hydroxyethyl)carbamate
SMILESCC1CC1COC(=O)NCCO
InChIInChI=1S/C8H15NO3/c1-6-4-7(6)5-12-8(11)9-2-3-10/h6-7,10H,2-5H2,1H3,(H,9,11)
InChIKeyHEZWFSMGJVTLKI-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.36
Rot. Bonds4

About (2-methylcyclopropyl)methyl N-(2-hydroxyethyl)carbamate

(2-methylcyclopropyl)methyl N-(2-hydroxyethyl)carbamate (PubChem CID 118000449) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (2-methylcyclopropyl)methyl N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Name(2-methylcyclopropyl)methyl N-(2-hydroxyethyl)carbamate
PubChem CID118000449
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(2-methylcyclopropyl)methyl N-(2-hydroxyethyl)carbamate
SMILESCC1CC1COC(=O)NCCO
InChIInChI=1S/C8H15NO3/c1-6-4-7(6)5-12-8(11)9-2-3-10/h6-7,10H,2-5H2,1H3,(H,9,11)
InChIKeyHEZWFSMGJVTLKI-UHFFFAOYSA-N
XLogP0.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)methyl N-(2-hydroxyethyl)carbamate?
The IUPAC name of (2-methylcyclopropyl)methyl N-(2-hydroxyethyl)carbamate (CID 118000449) is (2-methylcyclopropyl)methyl N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for (2-methylcyclopropyl)methyl N-(2-hydroxyethyl)carbamate?
The canonical SMILES for (2-methylcyclopropyl)methyl N-(2-hydroxyethyl)carbamate is CC1CC1COC(=O)NCCO.
What is the InChIKey of (2-methylcyclopropyl)methyl N-(2-hydroxyethyl)carbamate?
The InChIKey is HEZWFSMGJVTLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6-4-7(6)5-12-8(11)9-2-3-10/h6-7,10H,2-5H2,1H3,(H,9,11).
What are the key properties of (2-methylcyclopropyl)methyl N-(2-hydroxyethyl)carbamate?
(2-methylcyclopropyl)methyl N-(2-hydroxyethyl)carbamate has a molecular weight of 173.21 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 (2-methylcyclopropyl)methyl N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 118000449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).