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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Related Compounds

methyl N-(3-hydroxybutan-2-yl)carbamate
CID 20667189
ethane;methyl N-(1-cyclopropyl-2-oxopropyl)carbamate
CID 143630049
tert-butyl N-[(1R)-3-chloro-1-cyclopropyl-2-hydroxypropyl]carbamate
CID 118216477
tert-butyl N-[(1S,2S)-1-cyclopropyl-2-hydroxy-2-(methoxymethylamino)ethyl]carbamate
CID 170943611
methyl N-[(1S)-1-cyclopropyl-3-methylsulfanyl-2-oxobutyl]carbamate
CID 158475733
methyl N-(1-cyclopropyl-2-methylbut-2-enyl)carbamate
CID 118066650
ethyl (2S,3S)-3-cyclopropyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 139807127
methyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate
CID 126658283
2-methylpropyl N-(1-cyclohexyl-2,2-dihydroxyethyl)carbamate
CID 142110329
methyl N-[(2R,3R)-3-hydroxy-1-oxobutan-2-yl]carbamate
CID 123686900
3-hydroxy-2-(methoxycarbonylamino)butanethioic S-acid
CID 123609347
methyl N-(1-fluoroethyl)carbamate
CID 166647333

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).