1-(2-aminobutanoyl)piperidine-4-carboxylic acid

C10H18N2O3 — CID 22086240

IUPAC1-(2-aminobutanoyl)piperidine-4-carboxylic acid
SMILESCCC(N)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-2-8(11)9(13)12-5-3-7(4-6-12)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)
InChIKeyWGWADDXXKPKAJL-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.05
Rot. Bonds3

About 1-(2-aminobutanoyl)piperidine-4-carboxylic acid

1-(2-aminobutanoyl)piperidine-4-carboxylic acid (PubChem CID 22086240) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(2-aminobutanoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminobutanoyl)piperidine-4-carboxylic acid
PubChem CID22086240
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(2-aminobutanoyl)piperidine-4-carboxylic acid
SMILESCCC(N)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-2-8(11)9(13)12-5-3-7(4-6-12)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)
InChIKeyWGWADDXXKPKAJL-UHFFFAOYSA-N
XLogP0.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(Propan-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 28512923
(1-Isobutyl-3-oxo-piperazin-2-yl)-acetic acid
CID 3274793
(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoic acid
CID 11242297
N-(4-Fluoropiperidine-4-carbonyl)-N-methyl-L-valine
CID 156312271
2-[(4-Fluoropiperidine-4-carbonyl)-methylamino]-3-methylbutanoic acid
CID 156312272
2-[1-[(2S)-2-amino-3-methylbutanoyl]-3-fluoropiperidin-4-yl]acetic acid
CID 175266955
1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid
CID 43441481
1-[2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62656854
5-Methyl-3-{[(piperidin-2-yl)formamido]methyl}hexanoic acid
CID 65493308
3-Amino-4-oxo-4-[4-(trifluoromethyl)piperidin-1-yl]butanoic acid
CID 65537993
1-(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)piperidine-4-carboxylic acid
CID 79804833
1-(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)-4-methylpiperidine-4-carboxylic acid
CID 79811786

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobutanoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-aminobutanoyl)piperidine-4-carboxylic acid (CID 22086240) is 1-(2-aminobutanoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-aminobutanoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-aminobutanoyl)piperidine-4-carboxylic acid is CCC(N)C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(2-aminobutanoyl)piperidine-4-carboxylic acid?
The InChIKey is WGWADDXXKPKAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-8(11)9(13)12-5-3-7(4-6-12)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15).
What are the key properties of 1-(2-aminobutanoyl)piperidine-4-carboxylic acid?
1-(2-aminobutanoyl)piperidine-4-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobutanoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 22086240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).