tert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate

C14H18ClNO2 — CID 141045838

IUPACtert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO2/c1-14(2,3)18-13(17)16-12-8-11(12)9-4-6-10(15)7-5-9/h4-7,11-12H,8H2,1-3H3,(H,16,17)/t11-,12+/m0/s1
InChIKeyIAFGNZUOUOEIMF-NWDGAFQWSA-N
MW267.76 g/mol
LogP3.72
Rot. Bonds2

About tert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate

tert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate (PubChem CID 141045838) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate
PubChem CID141045838
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Nametert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO2/c1-14(2,3)18-13(17)16-12-8-11(12)9-4-6-10(15)7-5-9/h4-7,11-12H,8H2,1-3H3,(H,16,17)/t11-,12+/m0/s1
InChIKeyIAFGNZUOUOEIMF-NWDGAFQWSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate
CID 86708265
tert-butyl N-[(1R,2S)-2-(4-aminophenyl)cyclopropyl]carbamate
CID 86673140
tert-butyl N-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[(1S,2R)-2-(4-bromophenyl)cyclopropyl]carbamate
CID 172878388
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
tert-butyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate
CID 76555314
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]carbamate;carbonic acid
CID 70980362
tert-butyl N-[2-(4-phenylphenyl)cyclopropyl]carbamate
CID 76800958
tert-butyl 2-[4-[(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]phenyl]acetate
CID 134350510
tert-butyl N-[(1R,2S)-2-(4-nitrophenyl)cyclopropyl]carbamate
CID 86673141
methyl 2-fluoro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoate
CID 118304016
diethyl 2-[(1R,3S,4R)-3-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanedioate
CID 86673937
tert-butyl N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]carbamate
CID 101043563

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate (CID 141045838) is tert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of tert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate?
The InChIKey is IAFGNZUOUOEIMF-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-14(2,3)18-13(17)16-12-8-11(12)9-4-6-10(15)7-5-9/h4-7,11-12H,8H2,1-3H3,(H,16,17)/t11-,12+/m0/s1.
What are the key properties of tert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate?
tert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate has a molecular weight of 267.76 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate is sourced from PubChem (CID 141045838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).