methyl N-(1-cyclopropyl-2-hydroxypropyl)carbamate

C8H15NO3 — CID 126707476

IUPACmethyl N-(1-cyclopropyl-2-hydroxypropyl)carbamate
SMILESCOC(=O)NC(C(C)O)C1CC1
InChIInChI=1S/C8H15NO3/c1-5(10)7(6-3-4-6)9-8(11)12-2/h5-7,10H,3-4H2,1-2H3,(H,9,11)
InChIKeyQEXHKLZQPRHTEG-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.50
Rot. Bonds3

About methyl N-(1-cyclopropyl-2-hydroxypropyl)carbamate

methyl N-(1-cyclopropyl-2-hydroxypropyl)carbamate (PubChem CID 126707476) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl N-(1-cyclopropyl-2-hydroxypropyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-cyclopropyl-2-hydroxypropyl)carbamate
PubChem CID126707476
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl N-(1-cyclopropyl-2-hydroxypropyl)carbamate
SMILESCOC(=O)NC(C(C)O)C1CC1
InChIInChI=1S/C8H15NO3/c1-5(10)7(6-3-4-6)9-8(11)12-2/h5-7,10H,3-4H2,1-2H3,(H,9,11)
InChIKeyQEXHKLZQPRHTEG-UHFFFAOYSA-N
XLogP0.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1-cyclopropyl-2-hydroxypropyl)carbamate?
The IUPAC name of methyl N-(1-cyclopropyl-2-hydroxypropyl)carbamate (CID 126707476) is methyl N-(1-cyclopropyl-2-hydroxypropyl)carbamate.
What is the SMILES notation for methyl N-(1-cyclopropyl-2-hydroxypropyl)carbamate?
The canonical SMILES for methyl N-(1-cyclopropyl-2-hydroxypropyl)carbamate is COC(=O)NC(C(C)O)C1CC1.
What is the InChIKey of methyl N-(1-cyclopropyl-2-hydroxypropyl)carbamate?
The InChIKey is QEXHKLZQPRHTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5(10)7(6-3-4-6)9-8(11)12-2/h5-7,10H,3-4H2,1-2H3,(H,9,11).
What are the key properties of methyl N-(1-cyclopropyl-2-hydroxypropyl)carbamate?
methyl N-(1-cyclopropyl-2-hydroxypropyl)carbamate has a molecular weight of 173.21 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-cyclopropyl-2-hydroxypropyl)carbamate is sourced from PubChem (CID 126707476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).