methyl N-[(1S,2S)-1-(aminomethyl)-2-phenylmethoxycyclopropyl]-N-benzylcarbamate

C20H24N2O3 — CID 90322630

IUPACmethyl N-[(1S,2S)-1-(aminomethyl)-2-phenylmethoxycyclopropyl]-N-benzylcarbamate
SMILESCOC(=O)N(Cc1ccccc1)[C@]1(CN)C[C@@H]1OCc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-24-19(23)22(13-16-8-4-2-5-9-16)20(15-21)12-18(20)25-14-17-10-6-3-7-11-17/h2-11,18H,12-15,21H2,1H3/t18-,20-/m0/s1
InChIKeyXSPHHVIUPORGIM-ICSRJNTNSA-N
MW340.42 g/mol
LogP2.94
Rot. Bonds7

About methyl N-[(1S,2S)-1-(aminomethyl)-2-phenylmethoxycyclopropyl]-N-benzylcarbamate

methyl N-[(1S,2S)-1-(aminomethyl)-2-phenylmethoxycyclopropyl]-N-benzylcarbamate (PubChem CID 90322630) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl N-[(1S,2S)-1-(aminomethyl)-2-phenylmethoxycyclopropyl]-N-benzylcarbamate.

Molecular Properties

Compound Namemethyl N-[(1S,2S)-1-(aminomethyl)-2-phenylmethoxycyclopropyl]-N-benzylcarbamate
PubChem CID90322630
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namemethyl N-[(1S,2S)-1-(aminomethyl)-2-phenylmethoxycyclopropyl]-N-benzylcarbamate
SMILESCOC(=O)N(Cc1ccccc1)[C@]1(CN)C[C@@H]1OCc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-24-19(23)22(13-16-8-4-2-5-9-16)20(15-21)12-18(20)25-14-17-10-6-3-7-11-17/h2-11,18H,12-15,21H2,1H3/t18-,20-/m0/s1
InChIKeyXSPHHVIUPORGIM-ICSRJNTNSA-N
XLogP2.94
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl-(3-hydroxy-1-methylcyclobutyl)carbamic acid
CID 118085296
(111C)methyl N,N-dibenzylcarbamate
CID 10106358
methyl N-benzyl-N-methoxycarbonylcarbamate
CID 23462472
[(3R)-3-amino-1-methylcyclohexyl]-benzylcarbamic acid;hydrochloride
CID 129278977
methyl (1S,4R)-4-phenylmethoxycyclopent-2-ene-1-carboxylate
CID 155424697
(1R,4S,6S)-1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptane-4-carboxamide
CID 70456584
cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 167259654
1-methoxy-3-phenylmethoxycyclobutan-1-amine
CID 174783197
1-hydroxy-3-phenylmethoxycyclobutane-1-carboxylic acid
CID 149153047
trans-dimethyl (4S,5S)-4,5-bis(phenylmethoxy)cyclohexane-1,2-dicarboxylate
CID 11004179
benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine
CID 175696861
1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 154122310

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1S,2S)-1-(aminomethyl)-2-phenylmethoxycyclopropyl]-N-benzylcarbamate?
The IUPAC name of methyl N-[(1S,2S)-1-(aminomethyl)-2-phenylmethoxycyclopropyl]-N-benzylcarbamate (CID 90322630) is methyl N-[(1S,2S)-1-(aminomethyl)-2-phenylmethoxycyclopropyl]-N-benzylcarbamate.
What is the SMILES notation for methyl N-[(1S,2S)-1-(aminomethyl)-2-phenylmethoxycyclopropyl]-N-benzylcarbamate?
The canonical SMILES for methyl N-[(1S,2S)-1-(aminomethyl)-2-phenylmethoxycyclopropyl]-N-benzylcarbamate is COC(=O)N(Cc1ccccc1)[C@]1(CN)C[C@@H]1OCc1ccccc1.
What is the InChIKey of methyl N-[(1S,2S)-1-(aminomethyl)-2-phenylmethoxycyclopropyl]-N-benzylcarbamate?
The InChIKey is XSPHHVIUPORGIM-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-19(23)22(13-16-8-4-2-5-9-16)20(15-21)12-18(20)25-14-17-10-6-3-7-11-17/h2-11,18H,12-15,21H2,1H3/t18-,20-/m0/s1.
What are the key properties of methyl N-[(1S,2S)-1-(aminomethyl)-2-phenylmethoxycyclopropyl]-N-benzylcarbamate?
methyl N-[(1S,2S)-1-(aminomethyl)-2-phenylmethoxycyclopropyl]-N-benzylcarbamate has a molecular weight of 340.42 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1S,2S)-1-(aminomethyl)-2-phenylmethoxycyclopropyl]-N-benzylcarbamate is sourced from PubChem (CID 90322630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).