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

C12H16N2O2 — CID 135393121

IUPACbenzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
SMILESN[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C12H16N2O2/c13-10-6-7-11(10)14-12(15)16-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,13H2,(H,14,15)/t10-,11-/m1/s1
InChIKeyDQAVFCORLPTNAU-GHMZBOCLSA-N
MW220.27 g/mol
LogP1.40
Rot. Bonds3

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

benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate (PubChem CID 135393121) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
PubChem CID135393121
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namebenzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
SMILESN[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C12H16N2O2/c13-10-6-7-11(10)14-12(15)16-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,13H2,(H,14,15)/t10-,11-/m1/s1
InChIKeyDQAVFCORLPTNAU-GHMZBOCLSA-N
XLogP1.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid
CID 91810202
benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate
CID 118048951
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
benzyl N-[4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 14423415
benzyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate
CID 121451593
benzyl N-[(1S,2R)-4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 58822147
benzyl N-[(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decan-7-yl]carbamate
CID 141094427
benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate
CID 174499936
2-(phenylmethoxycarbonylamino)bicyclo[3.1.0]hexane-6-carboxylic acid
CID 165449156

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate?
The IUPAC name of benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate (CID 135393121) is benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate?
The canonical SMILES for benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate is N[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate?
The InChIKey is DQAVFCORLPTNAU-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-10-6-7-11(10)14-12(15)16-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,13H2,(H,14,15)/t10-,11-/m1/s1.
What are the key properties of benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate?
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate has a molecular weight of 220.27 g/mol, XLogP of 1.40, 3 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-aminocyclobutyl]carbamate is sourced from PubChem (CID 135393121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).