(2R)-N-[1-(1H-imidazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide

C11H16N4O2 — CID 104874088

IUPAC(2R)-N-[1-(1H-imidazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCC(NC(=O)[C@H]1CCC(=O)N1)c1ncc[nH]1
InChIInChI=1S/C11H16N4O2/c1-2-7(10-12-5-6-13-10)15-11(17)8-3-4-9(16)14-8/h5-8H,2-4H2,1H3,(H,12,13)(H,14,16)(H,15,17)/t7?,8-/m1/s1
InChIKeyZTVKZFPKKOICBM-BRFYHDHCSA-N
MW236.27 g/mol
LogP0.26
Rot. Bonds4

About (2R)-N-[1-(1H-imidazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[1-(1H-imidazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 104874088) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2R)-N-[1-(1H-imidazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-(1H-imidazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID104874088
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name(2R)-N-[1-(1H-imidazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCC(NC(=O)[C@H]1CCC(=O)N1)c1ncc[nH]1
InChIInChI=1S/C11H16N4O2/c1-2-7(10-12-5-6-13-10)15-11(17)8-3-4-9(16)14-8/h5-8H,2-4H2,1H3,(H,12,13)(H,14,16)(H,15,17)/t7?,8-/m1/s1
InChIKeyZTVKZFPKKOICBM-BRFYHDHCSA-N
XLogP0.26
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-imidazol-2-yl)propyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106704075
1,3-bis[1-(1H-imidazol-2-yl)propyl]urea
CID 162195808
N-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 43500469
N-[1-(1H-imidazol-2-yl)propyl]-2-methoxy-2-methylbutanamide
CID 114105991
(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798
(2R)-N-[(2R)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 104872886
N-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 130609699
(2R)-5-oxo-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-2-carboxamide
CID 94820968
3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 24690464
5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 110743906
4-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid
CID 104769141
(2S)-N-[(2S)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 18611788

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(1H-imidazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[1-(1H-imidazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide (CID 104874088) is (2R)-N-[1-(1H-imidazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-(1H-imidazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[1-(1H-imidazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide is CCC(NC(=O)[C@H]1CCC(=O)N1)c1ncc[nH]1.
What is the InChIKey of (2R)-N-[1-(1H-imidazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ZTVKZFPKKOICBM-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-7(10-12-5-6-13-10)15-11(17)8-3-4-9(16)14-8/h5-8H,2-4H2,1H3,(H,12,13)(H,14,16)(H,15,17)/t7?,8-/m1/s1.
What are the key properties of (2R)-N-[1-(1H-imidazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[1-(1H-imidazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(1H-imidazol-2-yl)propyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 104874088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).