benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate

C19H20N2O4 — CID 11859602

IUPACbenzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
SMILESO=C(N[C@@H]1C[C@H]1NC(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H20N2O4/c22-18(24-12-14-7-3-1-4-8-14)20-16-11-17(16)21-19(23)25-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,22)(H,21,23)/t16-,17-/m1/s1
InChIKeyUJTXQIYINXAOAT-IAGOWNOFSA-N
MW340.38 g/mol
LogP2.98
Rot. Bonds6

About benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate

benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate (PubChem CID 11859602) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
PubChem CID11859602
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namebenzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
SMILESO=C(N[C@@H]1C[C@H]1NC(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H20N2O4/c22-18(24-12-14-7-3-1-4-8-14)20-16-11-17(16)21-19(23)25-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,22)(H,21,23)/t16-,17-/m1/s1
InChIKeyUJTXQIYINXAOAT-IAGOWNOFSA-N
XLogP2.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(1S,2R)-4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 58822147
benzyl N-[4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 14423415
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(2-phenylcyclopropyl)carbamate
CID 12682022
benzyl N-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamate
CID 138980192
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
benzyl N-[(1R,2R,4S,5S)-4-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]carbamate
CID 101208445
benzyl N-(4-hydroxyoxolan-3-yl)carbamate;hydrochloride
CID 133063697
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate?
The IUPAC name of benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate (CID 11859602) is benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate.
What is the SMILES notation for benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate?
The canonical SMILES for benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate is O=C(N[C@@H]1C[C@H]1NC(=O)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate?
The InChIKey is UJTXQIYINXAOAT-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-18(24-12-14-7-3-1-4-8-14)20-16-11-17(16)21-19(23)25-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,22)(H,21,23)/t16-,17-/m1/s1.
What are the key properties of benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate?
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate has a molecular weight of 340.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate is sourced from PubChem (CID 11859602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).