methyl N-[2-[(2R)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate

C11H16N4O3 — CID 144971063

IUPACmethyl N-[2-[(2R)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N1CCC[C@@H]1c1ncc[nH]1
InChIInChI=1S/C11H16N4O3/c1-18-11(17)14-7-9(16)15-6-2-3-8(15)10-12-4-5-13-10/h4-5,8H,2-3,6-7H2,1H3,(H,12,13)(H,14,17)/t8-/m1/s1
InChIKeyUNBVFJWQBZWWSW-MRVPVSSYSA-N
MW252.27 g/mol
LogP0.43
Rot. Bonds3

About methyl N-[2-[(2R)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate

methyl N-[2-[(2R)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 144971063) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl N-[2-[(2R)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(2R)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
PubChem CID144971063
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Namemethyl N-[2-[(2R)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N1CCC[C@@H]1c1ncc[nH]1
InChIInChI=1S/C11H16N4O3/c1-18-11(17)14-7-9(16)15-6-2-3-8(15)10-12-4-5-13-10/h4-5,8H,2-3,6-7H2,1H3,(H,12,13)(H,14,17)/t8-/m1/s1
InChIKeyUNBVFJWQBZWWSW-MRVPVSSYSA-N
XLogP0.43
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-[2-[5-chloro-4-[4-[4-[5-chloro-2-[1-[2-(methoxycarbonylamino)acetyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 129022368
methyl N-[2-[(2S)-2-[5-[2-(4-bromophenyl)ethynyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
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CID 145150457
methyl N-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
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2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide
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2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
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methyl N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
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methyl N-[1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[2-(methoxycarbonylamino)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
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methyl N-[2-oxo-2-[2-[5-[4-(3-phenylthieno[3,2-b]thiophen-6-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(2R)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[(2R)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate (CID 144971063) is methyl N-[2-[(2R)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[(2R)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[(2R)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate is COC(=O)NCC(=O)N1CCC[C@@H]1c1ncc[nH]1.
What is the InChIKey of methyl N-[2-[(2R)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is UNBVFJWQBZWWSW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-18-11(17)14-7-9(16)15-6-2-3-8(15)10-12-4-5-13-10/h4-5,8H,2-3,6-7H2,1H3,(H,12,13)(H,14,17)/t8-/m1/s1.
What are the key properties of methyl N-[2-[(2R)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?
methyl N-[2-[(2R)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 252.27 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(2R)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 144971063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).