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

C20H22N2O3 — CID 5461315

IUPACbenzyl N-[(R)-[(1R,2R)-2-(methylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate
SMILESCNC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-21-19(23)17-12-16(17)18(15-10-6-3-7-11-15)22-20(24)25-13-14-8-4-2-5-9-14/h2-11,16-18H,12-13H2,1H3,(H,21,23)(H,22,24)/t16-,17-,18+/m1/s1
InChIKeyLCGJUJZLLYTYIF-KURKYZTESA-N
MW338.41 g/mol
LogP3.04
Rot. Bonds6

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

benzyl N-[(R)-[(1R,2R)-2-(methylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate (PubChem CID 5461315) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is benzyl N-[(R)-[(1R,2R)-2-(methylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(R)-[(1R,2R)-2-(methylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate
PubChem CID5461315
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namebenzyl N-[(R)-[(1R,2R)-2-(methylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate
SMILESCNC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-21-19(23)17-12-16(17)18(15-10-6-3-7-11-15)22-20(24)25-13-14-8-4-2-5-9-14/h2-11,16-18H,12-13H2,1H3,(H,21,23)(H,22,24)/t16-,17-,18+/m1/s1
InChIKeyLCGJUJZLLYTYIF-KURKYZTESA-N
XLogP3.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Mdl-28170
CID 72430
benzyl N-({2-methyl-2-[(propan-2-yl)carbamoyl]cyclopropyl}(phenyl)methyl)carbamate
CID 56947089
(S)-benzyl 1-(2-benzyl-2-cyano-1-methylhydrazinyl)-1-oxo-3-phenylpropan-2-ylcarbamate
CID 24898024
Benzyl 1-phenylethylcarbamate
CID 9837961
(S)-Benzyl (1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
CID 2755911
Phenylmethyl N-((1S)-1-(((1-formyl-2-phenylethyl)amino)carbonyl)-2-methylpropyl)carbamate
CID 11199915
benzyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-phenylethyl]carbamate
CID 14655218
Cbz-L-Phenylalaninal
CID 7021150
benzyl N-[(R)-[(1S,2S)-2-methyl-2-[(propan-2-yl)carbamoyl]cyclopropyl](phenyl)methyl]carbamate
CID 56947088
[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butyl]boronic acid
CID 44583045
benzyl 1-((4S)-4-(cyclobutanecarboxamido)-4-phenylbutan-2-yl)piperidin-4-yl(ethyl)carbamate
CID 44590752
benzyl N-{4-[(methylamino)carbonyl]benzyl}carbamate
CID 1480002

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(R)-[(1R,2R)-2-(methylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate?
The IUPAC name of benzyl N-[(R)-[(1R,2R)-2-(methylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate (CID 5461315) is benzyl N-[(R)-[(1R,2R)-2-(methylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate.
What is the SMILES notation for benzyl N-[(R)-[(1R,2R)-2-(methylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate?
The canonical SMILES for benzyl N-[(R)-[(1R,2R)-2-(methylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate is CNC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[(R)-[(1R,2R)-2-(methylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate?
The InChIKey is LCGJUJZLLYTYIF-KURKYZTESA-N. The full InChI is InChI=1S/C20H22N2O3/c1-21-19(23)17-12-16(17)18(15-10-6-3-7-11-15)22-20(24)25-13-14-8-4-2-5-9-14/h2-11,16-18H,12-13H2,1H3,(H,21,23)(H,22,24)/t16-,17-,18+/m1/s1.
What are the key properties of benzyl N-[(R)-[(1R,2R)-2-(methylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate?
benzyl N-[(R)-[(1R,2R)-2-(methylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate has a molecular weight of 338.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(R)-[(1R,2R)-2-(methylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate is sourced from PubChem (CID 5461315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).