tert-butyl N-[3-[(1S,2S)-2-carbamoylcyclopropyl]-5-chlorophenyl]carbamate

C15H19ClN2O3 — CID 167229271

IUPACtert-butyl N-[3-[(1S,2S)-2-carbamoylcyclopropyl]-5-chlorophenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(Cl)cc([C@H]2C[C@@H]2C(N)=O)c1
InChIInChI=1S/C15H19ClN2O3/c1-15(2,3)21-14(20)18-10-5-8(4-9(16)6-10)11-7-12(11)13(17)19/h4-6,11-12H,7H2,1-3H3,(H2,17,19)(H,18,20)/t11-,12+/m1/s1
InChIKeyULXUSVRCFQLSKG-NEPJUHHUSA-N
MW310.78 g/mol
LogP3.28
Rot. Bonds3

About tert-butyl N-[3-[(1S,2S)-2-carbamoylcyclopropyl]-5-chlorophenyl]carbamate

tert-butyl N-[3-[(1S,2S)-2-carbamoylcyclopropyl]-5-chlorophenyl]carbamate (PubChem CID 167229271) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is tert-butyl N-[3-[(1S,2S)-2-carbamoylcyclopropyl]-5-chlorophenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(1S,2S)-2-carbamoylcyclopropyl]-5-chlorophenyl]carbamate
PubChem CID167229271
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Nametert-butyl N-[3-[(1S,2S)-2-carbamoylcyclopropyl]-5-chlorophenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(Cl)cc([C@H]2C[C@@H]2C(N)=O)c1
InChIInChI=1S/C15H19ClN2O3/c1-15(2,3)21-14(20)18-10-5-8(4-9(16)6-10)11-7-12(11)13(17)19/h4-6,11-12H,7H2,1-3H3,(H2,17,19)(H,18,20)/t11-,12+/m1/s1
InChIKeyULXUSVRCFQLSKG-NEPJUHHUSA-N
XLogP3.28
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 146627934
tert-butyl N-[3-chloro-5-(chloromethyl)phenyl]carbamate
CID 117236621
trans-ethyl (1R,2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]cyclopropane-1-carboxylate
CID 25111498
trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 131139995
cis-tert-butyl (1R,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxylate
CID 102520338
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
methyl (2S)-2-[[(1S,2R)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 124711462
N-(2-amino-2-methylpropyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119626280
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]piperidine-3-carboxylic acid
CID 118691421
tert-butyl (1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 70794725
tert-butyl N-[3,5-dichloro-4-(difluoromethoxy)phenyl]carbamate
CID 65142779
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(1S,2S)-2-carbamoylcyclopropyl]-5-chlorophenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(1S,2S)-2-carbamoylcyclopropyl]-5-chlorophenyl]carbamate (CID 167229271) is tert-butyl N-[3-[(1S,2S)-2-carbamoylcyclopropyl]-5-chlorophenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(1S,2S)-2-carbamoylcyclopropyl]-5-chlorophenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(1S,2S)-2-carbamoylcyclopropyl]-5-chlorophenyl]carbamate is CC(C)(C)OC(=O)Nc1cc(Cl)cc([C@H]2C[C@@H]2C(N)=O)c1.
What is the InChIKey of tert-butyl N-[3-[(1S,2S)-2-carbamoylcyclopropyl]-5-chlorophenyl]carbamate?
The InChIKey is ULXUSVRCFQLSKG-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-15(2,3)21-14(20)18-10-5-8(4-9(16)6-10)11-7-12(11)13(17)19/h4-6,11-12H,7H2,1-3H3,(H2,17,19)(H,18,20)/t11-,12+/m1/s1.
What are the key properties of tert-butyl N-[3-[(1S,2S)-2-carbamoylcyclopropyl]-5-chlorophenyl]carbamate?
tert-butyl N-[3-[(1S,2S)-2-carbamoylcyclopropyl]-5-chlorophenyl]carbamate has a molecular weight of 310.78 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(1S,2S)-2-carbamoylcyclopropyl]-5-chlorophenyl]carbamate is sourced from PubChem (CID 167229271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).