benzyl N-(2-hydroxyacetyl)-N-[(2S)-pyrrolidine-2-carbonyl]carbamate

C15H18N2O5 — CID 54088548

IUPACbenzyl N-(2-hydroxyacetyl)-N-[(2S)-pyrrolidine-2-carbonyl]carbamate
SMILESO=C(CO)N(C(=O)OCc1ccccc1)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C15H18N2O5/c18-9-13(19)17(14(20)12-7-4-8-16-12)15(21)22-10-11-5-2-1-3-6-11/h1-3,5-6,12,16,18H,4,7-10H2/t12-/m0/s1
InChIKeyMSFJWSJXJGCJLY-LBPRGKRZSA-N
MW306.32 g/mol
LogP0.42
Rot. Bonds4

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

benzyl N-(2-hydroxyacetyl)-N-[(2S)-pyrrolidine-2-carbonyl]carbamate (PubChem CID 54088548) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is benzyl N-(2-hydroxyacetyl)-N-[(2S)-pyrrolidine-2-carbonyl]carbamate.

Molecular Properties

Compound Namebenzyl N-(2-hydroxyacetyl)-N-[(2S)-pyrrolidine-2-carbonyl]carbamate
PubChem CID54088548
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Namebenzyl N-(2-hydroxyacetyl)-N-[(2S)-pyrrolidine-2-carbonyl]carbamate
SMILESO=C(CO)N(C(=O)OCc1ccccc1)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C15H18N2O5/c18-9-13(19)17(14(20)12-7-4-8-16-12)15(21)22-10-11-5-2-1-3-6-11/h1-3,5-6,12,16,18H,4,7-10H2/t12-/m0/s1
InChIKeyMSFJWSJXJGCJLY-LBPRGKRZSA-N
XLogP0.42
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[(2S)-pyrrolidine-2-carbonyl]-N-(4-sulfamoylphenyl)carbamate
CID 54062276
3-(1H-imidazol-5-yl)-2-[phenylmethoxycarbonyl(pyrrolidine-2-carbonyl)amino]propanoic acid
CID 70585425
2-[[6-amino-2-[phenylmethoxycarbonyl(pyrrolidine-2-carbonyl)amino]hexanoyl]amino]acetic acid
CID 70492813
2-aminopropanoic acid;benzyl pyrrolidine-2-carboxylate
CID 19802280
N-(3-phenylpropanoyl)piperidine-2-carbohydrazide
CID 23000717
2-[[2-(phenylmethoxycarbonylamino)acetyl]-(pyrrolidine-2-carbonyl)amino]propanoic acid
CID 67827713
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
benzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate
CID 96555664
benzyl N-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate
CID 66569368
N-benzyl-N-cyclopropylpiperidine-2-carboxamide
CID 43579225
benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate
CID 66569398
benzyl 3-[(2S)-pyrrolidin-2-yl]propanoate
CID 58375773

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-hydroxyacetyl)-N-[(2S)-pyrrolidine-2-carbonyl]carbamate?
The IUPAC name of benzyl N-(2-hydroxyacetyl)-N-[(2S)-pyrrolidine-2-carbonyl]carbamate (CID 54088548) is benzyl N-(2-hydroxyacetyl)-N-[(2S)-pyrrolidine-2-carbonyl]carbamate.
What is the SMILES notation for benzyl N-(2-hydroxyacetyl)-N-[(2S)-pyrrolidine-2-carbonyl]carbamate?
The canonical SMILES for benzyl N-(2-hydroxyacetyl)-N-[(2S)-pyrrolidine-2-carbonyl]carbamate is O=C(CO)N(C(=O)OCc1ccccc1)C(=O)[C@@H]1CCCN1.
What is the InChIKey of benzyl N-(2-hydroxyacetyl)-N-[(2S)-pyrrolidine-2-carbonyl]carbamate?
The InChIKey is MSFJWSJXJGCJLY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O5/c18-9-13(19)17(14(20)12-7-4-8-16-12)15(21)22-10-11-5-2-1-3-6-11/h1-3,5-6,12,16,18H,4,7-10H2/t12-/m0/s1.
What are the key properties of benzyl N-(2-hydroxyacetyl)-N-[(2S)-pyrrolidine-2-carbonyl]carbamate?
benzyl N-(2-hydroxyacetyl)-N-[(2S)-pyrrolidine-2-carbonyl]carbamate has a molecular weight of 306.32 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-hydroxyacetyl)-N-[(2S)-pyrrolidine-2-carbonyl]carbamate is sourced from PubChem (CID 54088548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).