[(1S)-2-(4-chlorophenyl)-1-cyclopropyl-2-hydroxyethyl] carbamate

C12H14ClNO3 — CID 126599768

IUPAC[(1S)-2-(4-chlorophenyl)-1-cyclopropyl-2-hydroxyethyl] carbamate
SMILESNC(=O)O[C@@H](C1CC1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO3/c13-9-5-3-7(4-6-9)10(15)11(8-1-2-8)17-12(14)16/h3-6,8,10-11,15H,1-2H2,(H2,14,16)/t10?,11-/m0/s1
InChIKeyUKAKGVROMQJLPR-DTIOYNMSSA-N
MW255.70 g/mol
LogP2.25
Rot. Bonds4

About [(1S)-2-(4-chlorophenyl)-1-cyclopropyl-2-hydroxyethyl] carbamate

[(1S)-2-(4-chlorophenyl)-1-cyclopropyl-2-hydroxyethyl] carbamate (PubChem CID 126599768) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is [(1S)-2-(4-chlorophenyl)-1-cyclopropyl-2-hydroxyethyl] carbamate.

Molecular Properties

Compound Name[(1S)-2-(4-chlorophenyl)-1-cyclopropyl-2-hydroxyethyl] carbamate
PubChem CID126599768
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name[(1S)-2-(4-chlorophenyl)-1-cyclopropyl-2-hydroxyethyl] carbamate
SMILESNC(=O)O[C@@H](C1CC1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO3/c13-9-5-3-7(4-6-9)10(15)11(8-1-2-8)17-12(14)16/h3-6,8,10-11,15H,1-2H2,(H2,14,16)/t10?,11-/m0/s1
InChIKeyUKAKGVROMQJLPR-DTIOYNMSSA-N
XLogP2.25
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-(4-chlorophenyl)ethyl] carbamate
CID 174363782
acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 71336866
(2R)-2-(4-chlorophenyl)-2-hydroxyacetamide
CID 69300221
methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate
CID 15317241
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopropylethanol
CID 130803068
[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl] carbamate
CID 175035515
1-chloro-4-[[(4-chlorophenyl)-cyclopropylmethoxy]-cyclopropylmethyl]benzene
CID 139592650
1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
methyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate
CID 60666904
(2S)-2-(4-chlorophenyl)-3-(cyclopropylmethylamino)propanamide
CID 67518777
[1-cyclohexyl-2-hydroxy-2-(4-methylphenyl)ethyl] N,N-diethylcarbamate
CID 100919842
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171161173

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(4-chlorophenyl)-1-cyclopropyl-2-hydroxyethyl] carbamate?
The IUPAC name of [(1S)-2-(4-chlorophenyl)-1-cyclopropyl-2-hydroxyethyl] carbamate (CID 126599768) is [(1S)-2-(4-chlorophenyl)-1-cyclopropyl-2-hydroxyethyl] carbamate.
What is the SMILES notation for [(1S)-2-(4-chlorophenyl)-1-cyclopropyl-2-hydroxyethyl] carbamate?
The canonical SMILES for [(1S)-2-(4-chlorophenyl)-1-cyclopropyl-2-hydroxyethyl] carbamate is NC(=O)O[C@@H](C1CC1)C(O)c1ccc(Cl)cc1.
What is the InChIKey of [(1S)-2-(4-chlorophenyl)-1-cyclopropyl-2-hydroxyethyl] carbamate?
The InChIKey is UKAKGVROMQJLPR-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H14ClNO3/c13-9-5-3-7(4-6-9)10(15)11(8-1-2-8)17-12(14)16/h3-6,8,10-11,15H,1-2H2,(H2,14,16)/t10?,11-/m0/s1.
What are the key properties of [(1S)-2-(4-chlorophenyl)-1-cyclopropyl-2-hydroxyethyl] carbamate?
[(1S)-2-(4-chlorophenyl)-1-cyclopropyl-2-hydroxyethyl] carbamate has a molecular weight of 255.70 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(4-chlorophenyl)-1-cyclopropyl-2-hydroxyethyl] carbamate is sourced from PubChem (CID 126599768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).