1-(cyclopropanecarbonyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrolidine-2-carboxamide

C16H28N2O3 — CID 106252537

IUPAC1-(cyclopropanecarbonyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrolidine-2-carboxamide
SMILESCCC(CC)(CO)CNC(=O)C1CCCN1C(=O)C1CC1
InChIInChI=1S/C16H28N2O3/c1-3-16(4-2,11-19)10-17-14(20)13-6-5-9-18(13)15(21)12-7-8-12/h12-13,19H,3-11H2,1-2H3,(H,17,20)
InChIKeyVZXJWEJXYVARAE-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.30
Rot. Bonds7

About 1-(cyclopropanecarbonyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrolidine-2-carboxamide

1-(cyclopropanecarbonyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrolidine-2-carboxamide (PubChem CID 106252537) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrolidine-2-carboxamide
PubChem CID106252537
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-(cyclopropanecarbonyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrolidine-2-carboxamide
SMILESCCC(CC)(CO)CNC(=O)C1CCCN1C(=O)C1CC1
InChIInChI=1S/C16H28N2O3/c1-3-16(4-2,11-19)10-17-14(20)13-6-5-9-18(13)15(21)12-7-8-12/h12-13,19H,3-11H2,1-2H3,(H,17,20)
InChIKeyVZXJWEJXYVARAE-UHFFFAOYSA-N
XLogP1.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-ethylbutanoic acid
CID 79813522
1-(cyclopropanecarbonyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
CID 115455332
4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methylbutanoic acid
CID 80539316
1-(cyclopropanecarbonyl)-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide
CID 43427876
1-(cyclopropanecarbonyl)-N-[3-(2-hydroxyethoxy)propyl]pyrrolidine-2-carboxamide
CID 106305764
N-(2,2-difluoro-3-hydroxypropyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 104862896
1-(cyclopropanecarbonyl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide
CID 115700393
N-(4-hydroxy-2,2-dimethylpentyl)-1-propanoylpiperidine-2-carboxamide
CID 111480417
(3S)-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide
CID 114164701
(2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110285757
2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 123428236
N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170386383

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrolidine-2-carboxamide (CID 106252537) is 1-(cyclopropanecarbonyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrolidine-2-carboxamide is CCC(CC)(CO)CNC(=O)C1CCCN1C(=O)C1CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrolidine-2-carboxamide?
The InChIKey is VZXJWEJXYVARAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-16(4-2,11-19)10-17-14(20)13-6-5-9-18(13)15(21)12-7-8-12/h12-13,19H,3-11H2,1-2H3,(H,17,20).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrolidine-2-carboxamide?
1-(cyclopropanecarbonyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrolidine-2-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 106252537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).