1-(3-aminobutanoyl)piperidine-2-carboxylic acid

C10H18N2O3 — CID 61156814

IUPAC1-(3-aminobutanoyl)piperidine-2-carboxylic acid
SMILESCC(N)CC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(11)6-9(13)12-5-3-2-4-8(12)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)
InChIKeyQPDXNFFTXHCZRM-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.19
Rot. Bonds3

About 1-(3-aminobutanoyl)piperidine-2-carboxylic acid

1-(3-aminobutanoyl)piperidine-2-carboxylic acid (PubChem CID 61156814) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(3-aminobutanoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminobutanoyl)piperidine-2-carboxylic acid
PubChem CID61156814
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(3-aminobutanoyl)piperidine-2-carboxylic acid
SMILESCC(N)CC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(11)6-9(13)12-5-3-2-4-8(12)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)
InChIKeyQPDXNFFTXHCZRM-UHFFFAOYSA-N
XLogP0.19
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 ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 10535993
1-(3-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 139391002
(2S)-1-[3-(ethylamino)butanoyl]piperidine-2-carboxylic acid
CID 66263250
1-[3-(aminomethyl)pentanoyl]azepane-2-carboxylic acid
CID 81079150
(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119736640
1-(2-aminopropanoyl)azepane-2-carboxylic acid
CID 64564461
1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid
CID 78996683
4-(3-aminobutanoyl)thiomorpholine-3-carboxylic acid
CID 82904428
1-[(3S,4S)-6-(2-carboxypyrrolidin-1-yl)-3,4-dihydroxy-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 70274252
1-(3-amino-3-phenylpropanoyl)azepane-2-carboxylic acid
CID 64561727
(2R)-1-[3-(cyclohexanecarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid
CID 119371105

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobutanoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(3-aminobutanoyl)piperidine-2-carboxylic acid (CID 61156814) is 1-(3-aminobutanoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-aminobutanoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-aminobutanoyl)piperidine-2-carboxylic acid is CC(N)CC(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-(3-aminobutanoyl)piperidine-2-carboxylic acid?
The InChIKey is QPDXNFFTXHCZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(11)6-9(13)12-5-3-2-4-8(12)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15).
What are the key properties of 1-(3-aminobutanoyl)piperidine-2-carboxylic acid?
1-(3-aminobutanoyl)piperidine-2-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminobutanoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 61156814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).