2-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-ethylbutanoic acid

C15H24N2O4 — CID 79813522

IUPAC2-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)C1CCCN1C(=O)C1CC1)C(=O)O
InChIInChI=1S/C15H24N2O4/c1-3-15(4-2,14(20)21)16-12(18)11-6-5-9-17(11)13(19)10-7-8-10/h10-11H,3-9H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyKHGKDTZJYMIUSO-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.15
Rot. Bonds6

About 2-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-ethylbutanoic acid

2-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-ethylbutanoic acid (PubChem CID 79813522) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-ethylbutanoic acid
PubChem CID79813522
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)C1CCCN1C(=O)C1CC1)C(=O)O
InChIInChI=1S/C15H24N2O4/c1-3-15(4-2,14(20)21)16-12(18)11-6-5-9-17(11)13(19)10-7-8-10/h10-11H,3-9H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyKHGKDTZJYMIUSO-UHFFFAOYSA-N
XLogP1.15
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrolidine-2-carboxamide
CID 106252537
1-(cyclopropanecarbonyl)-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide
CID 43427876
1-(cyclopropanecarbonyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
CID 115455332
2-ethyl-2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 79804147
4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methylbutanoic acid
CID 80539316
(2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110285757
methyl 1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 43623815
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
1-(cyclopropanecarbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60717815
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593
2-ethyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]butanoic acid
CID 79804310
2-ethyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 79804533

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-ethylbutanoic acid (CID 79813522) is 2-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-ethylbutanoic acid is CCC(CC)(NC(=O)C1CCCN1C(=O)C1CC1)C(=O)O.
What is the InChIKey of 2-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-ethylbutanoic acid?
The InChIKey is KHGKDTZJYMIUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-3-15(4-2,14(20)21)16-12(18)11-6-5-9-17(11)13(19)10-7-8-10/h10-11H,3-9H2,1-2H3,(H,16,18)(H,20,21).
What are the key properties of 2-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-ethylbutanoic acid?
2-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-ethylbutanoic acid has a molecular weight of 296.37 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-ethylbutanoic acid is sourced from PubChem (CID 79813522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).