benzyl N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]carbamate

C14H15N3O2 — CID 18395376

IUPACbenzyl N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]carbamate
SMILESO=C(N[C@@H]1C[C@H]1c1cnc[nH]1)OCc1ccccc1
InChIInChI=1S/C14H15N3O2/c18-14(19-8-10-4-2-1-3-5-10)17-12-6-11(12)13-7-15-9-16-13/h1-5,7,9,11-12H,6,8H2,(H,15,16)(H,17,18)/t11-,12-/m1/s1
InChIKeyVYNQHLXARYPHLX-VXGBXAGGSA-N
MW257.29 g/mol
LogP2.19
Rot. Bonds4

About benzyl N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]carbamate

benzyl N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]carbamate (PubChem CID 18395376) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is benzyl N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]carbamate
PubChem CID18395376
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Namebenzyl N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]carbamate
SMILESO=C(N[C@@H]1C[C@H]1c1cnc[nH]1)OCc1ccccc1
InChIInChI=1S/C14H15N3O2/c18-14(19-8-10-4-2-1-3-5-10)17-12-6-11(12)13-7-15-9-16-13/h1-5,7,9,11-12H,6,8H2,(H,15,16)(H,17,18)/t11-,12-/m1/s1
InChIKeyVYNQHLXARYPHLX-VXGBXAGGSA-N
XLogP2.19
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(2-phenylcyclopropyl)carbamate
CID 12682022
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[3-(1H-imidazol-5-ylmethylamino)cyclobutyl]carbamate
CID 103393516
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate
CID 123672506
benzyl N-[(1R,2R,4S,5S)-4-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]carbamate
CID 101208445
benzyl N-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamate
CID 138980192
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
benzyl N-[(1S,2R)-4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 58822147
benzyl N-[4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 14423415

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]carbamate?
The IUPAC name of benzyl N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]carbamate (CID 18395376) is benzyl N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]carbamate.
What is the SMILES notation for benzyl N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]carbamate?
The canonical SMILES for benzyl N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]carbamate is O=C(N[C@@H]1C[C@H]1c1cnc[nH]1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]carbamate?
The InChIKey is VYNQHLXARYPHLX-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(19-8-10-4-2-1-3-5-10)17-12-6-11(12)13-7-15-9-16-13/h1-5,7,9,11-12H,6,8H2,(H,15,16)(H,17,18)/t11-,12-/m1/s1.
What are the key properties of benzyl N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]carbamate?
benzyl N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]carbamate has a molecular weight of 257.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]carbamate is sourced from PubChem (CID 18395376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).