4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methylbutanoic acid

C14H22N2O4 — CID 80539316

IUPAC4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)C1CCCN1C(=O)C1CC1)C(=O)O
InChIInChI=1S/C14H22N2O4/c1-9(14(19)20)6-7-15-12(17)11-3-2-8-16(11)13(18)10-4-5-10/h9-11H,2-8H2,1H3,(H,15,17)(H,19,20)
InChIKeyABVIOQQLMZDDGH-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.61
Rot. Bonds6

About 4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methylbutanoic acid

4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methylbutanoic acid (PubChem CID 80539316) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methylbutanoic acid
PubChem CID80539316
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)C1CCCN1C(=O)C1CC1)C(=O)O
InChIInChI=1S/C14H22N2O4/c1-9(14(19)20)6-7-15-12(17)11-3-2-8-16(11)13(18)10-4-5-10/h9-11H,2-8H2,1H3,(H,15,17)(H,19,20)
InChIKeyABVIOQQLMZDDGH-UHFFFAOYSA-N
XLogP0.61
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclobutanecarbonylamino)-2-methylbutanoic acid
CID 80538268
N-(3-hydroxy-4-methylpentyl)-1-propanoylpiperidine-2-carboxamide
CID 111461149
1-(cyclopropanecarbonyl)-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide
CID 43427876
1-(cyclopropanecarbonyl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide
CID 115700393
1-(cyclopropanecarbonyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
CID 115455332
1-(cyclopropanecarbonyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrolidine-2-carboxamide
CID 106252537
1-(cyclopropanecarbonyl)-N-[3-(2-hydroxyethoxy)propyl]pyrrolidine-2-carboxamide
CID 106305764
2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 80539207
(2S)-1-(cyclopentanecarbonyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrrolidine-2-carboxamide
CID 95280772
4-[(4-aminocyclohexanecarbonyl)amino]-2-methylbutanoic acid
CID 80539751
4-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540703
2-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-ethylbutanoic acid
CID 79813522

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methylbutanoic acid?
The IUPAC name of 4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methylbutanoic acid (CID 80539316) is 4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methylbutanoic acid is CC(CCNC(=O)C1CCCN1C(=O)C1CC1)C(=O)O.
What is the InChIKey of 4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methylbutanoic acid?
The InChIKey is ABVIOQQLMZDDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9(14(19)20)6-7-15-12(17)11-3-2-8-16(11)13(18)10-4-5-10/h9-11H,2-8H2,1H3,(H,15,17)(H,19,20).
What are the key properties of 4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methylbutanoic acid?
4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methylbutanoic acid has a molecular weight of 282.34 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 80539316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).