3-amino-4-oxo-4-(4-pyrrolidin-1-ylpiperidin-1-yl)butanoic acid

C13H23N3O3 — CID 64895343

IUPAC3-amino-4-oxo-4-(4-pyrrolidin-1-ylpiperidin-1-yl)butanoic acid
SMILESNC(CC(=O)O)C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C13H23N3O3/c14-11(9-12(17)18)13(19)16-7-3-10(4-8-16)15-5-1-2-6-15/h10-11H,1-9,14H2,(H,17,18)
InChIKeyZEJNXZWMBUFEGN-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.12
Rot. Bonds4

About 3-amino-4-oxo-4-(4-pyrrolidin-1-ylpiperidin-1-yl)butanoic acid

3-amino-4-oxo-4-(4-pyrrolidin-1-ylpiperidin-1-yl)butanoic acid (PubChem CID 64895343) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-amino-4-oxo-4-(4-pyrrolidin-1-ylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-amino-4-oxo-4-(4-pyrrolidin-1-ylpiperidin-1-yl)butanoic acid
PubChem CID64895343
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name3-amino-4-oxo-4-(4-pyrrolidin-1-ylpiperidin-1-yl)butanoic acid
SMILESNC(CC(=O)O)C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C13H23N3O3/c14-11(9-12(17)18)13(19)16-7-3-10(4-8-16)15-5-1-2-6-15/h10-11H,1-9,14H2,(H,17,18)
InChIKeyZEJNXZWMBUFEGN-UHFFFAOYSA-N
XLogP-0.12
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
CID 93469877
2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 61041479
(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 119842941
2-amino-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 63167118
3-amino-4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanamide
CID 54874302
1-(2-amino-3-carboxypropanoyl)piperidine-3-carboxylic acid
CID 64897100
3-amino-4-oxo-4-(4-propylazepan-1-yl)butanoic acid
CID 64895189
(2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one
CID 103929400
2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119843387
(2S)-2-amino-3-(4-amino-3,5-dibromophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 57270181
2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63166900
3-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 22674972

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-oxo-4-(4-pyrrolidin-1-ylpiperidin-1-yl)butanoic acid?
The IUPAC name of 3-amino-4-oxo-4-(4-pyrrolidin-1-ylpiperidin-1-yl)butanoic acid (CID 64895343) is 3-amino-4-oxo-4-(4-pyrrolidin-1-ylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 3-amino-4-oxo-4-(4-pyrrolidin-1-ylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 3-amino-4-oxo-4-(4-pyrrolidin-1-ylpiperidin-1-yl)butanoic acid is NC(CC(=O)O)C(=O)N1CCC(N2CCCC2)CC1.
What is the InChIKey of 3-amino-4-oxo-4-(4-pyrrolidin-1-ylpiperidin-1-yl)butanoic acid?
The InChIKey is ZEJNXZWMBUFEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c14-11(9-12(17)18)13(19)16-7-3-10(4-8-16)15-5-1-2-6-15/h10-11H,1-9,14H2,(H,17,18).
What are the key properties of 3-amino-4-oxo-4-(4-pyrrolidin-1-ylpiperidin-1-yl)butanoic acid?
3-amino-4-oxo-4-(4-pyrrolidin-1-ylpiperidin-1-yl)butanoic acid has a molecular weight of 269.34 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-oxo-4-(4-pyrrolidin-1-ylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 64895343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).