2-hydroxyethyl N-(2-phenylcyclopropyl)carbamate

C12H15NO3 — CID 79348552

IUPAC2-hydroxyethyl N-(2-phenylcyclopropyl)carbamate
SMILESO=C(NC1CC1c1ccccc1)OCCO
InChIInChI=1S/C12H15NO3/c14-6-7-16-12(15)13-11-8-10(11)9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H,13,15)
InChIKeyJBHRPLWWGUJQER-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.26
Rot. Bonds4

About 2-hydroxyethyl N-(2-phenylcyclopropyl)carbamate

2-hydroxyethyl N-(2-phenylcyclopropyl)carbamate (PubChem CID 79348552) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-hydroxyethyl N-(2-phenylcyclopropyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(2-phenylcyclopropyl)carbamate
PubChem CID79348552
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-hydroxyethyl N-(2-phenylcyclopropyl)carbamate
SMILESO=C(NC1CC1c1ccccc1)OCCO
InChIInChI=1S/C12H15NO3/c14-6-7-16-12(15)13-11-8-10(11)9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H,13,15)
InChIKeyJBHRPLWWGUJQER-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(2-phenylcyclopropyl)carbamate
CID 12682022
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]carbamate;carbonic acid
CID 70980362
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea
CID 47764322
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
2-amino-N-(2-phenylcyclopropyl)cyclopropane-1-carboxamide
CID 114995959
methyl 2-oxo-2-[(2-phenylcyclopropyl)amino]acetate
CID 112617050
1-cyclopropyl-1-(2-hydroxyethyl)-3-(2-phenylcyclopropyl)urea
CID 71937230
(2S)-2-amino-N-(2-phenylcyclopropyl)propanamide
CID 78977151
5,5-dimethylhexyl N-[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]carbamate
CID 142717274
2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 92859467

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(2-phenylcyclopropyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(2-phenylcyclopropyl)carbamate (CID 79348552) is 2-hydroxyethyl N-(2-phenylcyclopropyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(2-phenylcyclopropyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(2-phenylcyclopropyl)carbamate is O=C(NC1CC1c1ccccc1)OCCO.
What is the InChIKey of 2-hydroxyethyl N-(2-phenylcyclopropyl)carbamate?
The InChIKey is JBHRPLWWGUJQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-6-7-16-12(15)13-11-8-10(11)9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H,13,15).
What are the key properties of 2-hydroxyethyl N-(2-phenylcyclopropyl)carbamate?
2-hydroxyethyl N-(2-phenylcyclopropyl)carbamate has a molecular weight of 221.26 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(2-phenylcyclopropyl)carbamate is sourced from PubChem (CID 79348552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).