benzyl N-[(2S)-1-methylpyrrolidine-2-carbonyl]carbamate

C14H18N2O3 — CID 90115821

IUPACbenzyl N-[(2S)-1-methylpyrrolidine-2-carbonyl]carbamate
SMILESCN1CCC[C@H]1C(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H18N2O3/c1-16-9-5-8-12(16)13(17)15-14(18)19-10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,15,17,18)/t12-/m0/s1
InChIKeyUMYHPQQTRKBVJT-LBPRGKRZSA-N
MW262.31 g/mol
LogP1.53
Rot. Bonds3

About benzyl N-[(2S)-1-methylpyrrolidine-2-carbonyl]carbamate

benzyl N-[(2S)-1-methylpyrrolidine-2-carbonyl]carbamate (PubChem CID 90115821) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is benzyl N-[(2S)-1-methylpyrrolidine-2-carbonyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-methylpyrrolidine-2-carbonyl]carbamate
PubChem CID90115821
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namebenzyl N-[(2S)-1-methylpyrrolidine-2-carbonyl]carbamate
SMILESCN1CCC[C@H]1C(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H18N2O3/c1-16-9-5-8-12(16)13(17)15-14(18)19-10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,15,17,18)/t12-/m0/s1
InChIKeyUMYHPQQTRKBVJT-LBPRGKRZSA-N
XLogP1.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoate
CID 59515941
(2R)-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid
CID 91667012
benzyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 130580965
1-(1-methylpyrrolidin-2-yl)-2-phenylethanone
CID 129033929
tert-butyl 2-oxo-2-[(2S)-2-(phenylmethoxycarbonylaminocarbamoyl)pyrrolidin-1-yl]acetate
CID 46211356
[4-[(1-methylpyrrolidine-2-carbonyl)amino]phenyl]methyl 2-methylpropanoate
CID 171546002
(2S)-1-[4-(phenylmethoxycarbonylamino)butyl]pyrrolidine-2-carboxylic acid
CID 101131452
benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate
CID 58782089
1-methyl-N-[(3-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 146358334
(2R)-1-[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 86308236
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
2-[[(2S)-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]acetic acid
CID 24803212

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-methylpyrrolidine-2-carbonyl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-methylpyrrolidine-2-carbonyl]carbamate (CID 90115821) is benzyl N-[(2S)-1-methylpyrrolidine-2-carbonyl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-methylpyrrolidine-2-carbonyl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-methylpyrrolidine-2-carbonyl]carbamate is CN1CCC[C@H]1C(=O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-methylpyrrolidine-2-carbonyl]carbamate?
The InChIKey is UMYHPQQTRKBVJT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16-9-5-8-12(16)13(17)15-14(18)19-10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,15,17,18)/t12-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-methylpyrrolidine-2-carbonyl]carbamate?
benzyl N-[(2S)-1-methylpyrrolidine-2-carbonyl]carbamate has a molecular weight of 262.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-methylpyrrolidine-2-carbonyl]carbamate is sourced from PubChem (CID 90115821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).