(2R)-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide

C14H22N4O2 — CID 97218671

IUPAC(2R)-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC[C@H](C(=O)NCCc1nccn1C)N1CCCC1=O
InChIInChI=1S/C14H22N4O2/c1-3-11(18-9-4-5-13(18)19)14(20)16-7-6-12-15-8-10-17(12)2/h8,10-11H,3-7,9H2,1-2H3,(H,16,20)/t11-/m1/s1
InChIKeyLIUGPTGJMSGAGH-LLVKDONJSA-N
MW278.36 g/mol
LogP0.48
Rot. Bonds6

About (2R)-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide

(2R)-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 97218671) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (2R)-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2R)-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID97218671
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(2R)-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC[C@H](C(=O)NCCc1nccn1C)N1CCCC1=O
InChIInChI=1S/C14H22N4O2/c1-3-11(18-9-4-5-13(18)19)14(20)16-7-6-12-15-8-10-17(12)2/h8,10-11H,3-7,9H2,1-2H3,(H,16,20)/t11-/m1/s1
InChIKeyLIUGPTGJMSGAGH-LLVKDONJSA-N
XLogP0.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
CID 135817952
(2R)-N-(5-chloro-1,3-thiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 96525370
2-(butan-2-ylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 61210159
2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 86791142
2,2-diethyl-4-[2-(1-methylimidazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 61215314
N-(3-bromo-2-pyridinyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 71980567
1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 81171638
1-[2-(1-methylimidazol-2-yl)ethyl]-3-propylthiourea
CID 116508135
3-[2-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 62232290
2-(2-oxopyrrolidin-1-yl)-N-(5-pyridin-2-yl-2-pyridinyl)butanamide
CID 84594786
(2R)-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 97025142
2-(2-oxopyrrolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119535176

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of (2R)-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide (CID 97218671) is (2R)-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2R)-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for (2R)-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide is CC[C@H](C(=O)NCCc1nccn1C)N1CCCC1=O.
What is the InChIKey of (2R)-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is LIUGPTGJMSGAGH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-11(18-9-4-5-13(18)19)14(20)16-7-6-12-15-8-10-17(12)2/h8,10-11H,3-7,9H2,1-2H3,(H,16,20)/t11-/m1/s1.
What are the key properties of (2R)-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
(2R)-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 278.36 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 97218671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).