benzyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate

C14H18N2O3 — CID 141351326

IUPACbenzyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate
SMILESC[C@@]1(C(=O)NC(=O)OCc2ccccc2)CCCN1
InChIInChI=1S/C14H18N2O3/c1-14(8-5-9-15-14)12(17)16-13(18)19-10-11-6-3-2-4-7-11/h2-4,6-7,15H,5,8-10H2,1H3,(H,16,17,18)/t14-/m0/s1
InChIKeyMQWQNPIJXCUGLL-AWEZNQCLSA-N
MW262.31 g/mol
LogP1.58
Rot. Bonds3

About benzyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate

benzyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate (PubChem CID 141351326) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is benzyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate
PubChem CID141351326
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namebenzyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate
SMILESC[C@@]1(C(=O)NC(=O)OCc2ccccc2)CCCN1
InChIInChI=1S/C14H18N2O3/c1-14(8-5-9-15-14)12(17)16-13(18)19-10-11-6-3-2-4-7-11/h2-4,6-7,15H,5,8-10H2,1H3,(H,16,17,18)/t14-/m0/s1
InChIKeyMQWQNPIJXCUGLL-AWEZNQCLSA-N
XLogP1.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 141351303
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide
CID 107863123
benzyl N-[(3R)-3-methylazepan-3-yl]carbamate
CID 175203765
methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate
CID 131866293
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 107863134
N-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 64680133
benzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate
CID 125117285
benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188
benzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride
CID 131638009
benzyl 2-[(E)-but-2-enyl]pyrrolidine-2-carboxylate
CID 139425827
N-(3-hydroxy-1-phenylpropyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride
CID 110012103
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-2-carboxamide
CID 132850278

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate?
The IUPAC name of benzyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate (CID 141351326) is benzyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate?
The canonical SMILES for benzyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate is C[C@@]1(C(=O)NC(=O)OCc2ccccc2)CCCN1.
What is the InChIKey of benzyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate?
The InChIKey is MQWQNPIJXCUGLL-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(8-5-9-15-14)12(17)16-13(18)19-10-11-6-3-2-4-7-11/h2-4,6-7,15H,5,8-10H2,1H3,(H,16,17,18)/t14-/m0/s1.
What are the key properties of benzyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate?
benzyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate has a molecular weight of 262.31 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate is sourced from PubChem (CID 141351326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).