4-(2-aminopiperidin-1-yl)butanoic acid

C9H18N2O2 — CID 77220070

IUPAC4-(2-aminopiperidin-1-yl)butanoic acid
SMILESNC1CCCCN1CCCC(=O)O
InChIInChI=1S/C9H18N2O2/c10-8-4-1-2-6-11(8)7-3-5-9(12)13/h8H,1-7,10H2,(H,12,13)
InChIKeyQQICCAQKIREEMC-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.62
Rot. Bonds4

About 4-(2-aminopiperidin-1-yl)butanoic acid

4-(2-aminopiperidin-1-yl)butanoic acid (PubChem CID 77220070) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-(2-aminopiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-aminopiperidin-1-yl)butanoic acid
PubChem CID77220070
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name4-(2-aminopiperidin-1-yl)butanoic acid
SMILESNC1CCCCN1CCCC(=O)O
InChIInChI=1S/C9H18N2O2/c10-8-4-1-2-6-11(8)7-3-5-9(12)13/h8H,1-7,10H2,(H,12,13)
InChIKeyQQICCAQKIREEMC-UHFFFAOYSA-N
XLogP0.62
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanoic acid
CID 119135261
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid
CID 62466874
7-[2-(hydroxymethyl)pyrrolidin-1-yl]heptanoic acid
CID 174218566
5-(2-benzylpiperidin-1-yl)pentanoic acid
CID 18621474
3-[1-[4-(dimethylamino)-4-oxobutyl]piperidin-2-yl]propanoic acid
CID 62216161
3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propanoic acid
CID 94161350
2-[1-(3-fluoropropyl)piperidin-2-yl]acetic acid
CID 81113634
1-(3-carboxypropyl)azetidine-2-carboxylic acid
CID 145117492
6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid
CID 174674444
1-butylpyrrolidin-2-amine
CID 152748191
3-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]propanoic acid
CID 113326572
3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]propanoic acid
CID 29295033

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopiperidin-1-yl)butanoic acid?
The IUPAC name of 4-(2-aminopiperidin-1-yl)butanoic acid (CID 77220070) is 4-(2-aminopiperidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(2-aminopiperidin-1-yl)butanoic acid?
The canonical SMILES for 4-(2-aminopiperidin-1-yl)butanoic acid is NC1CCCCN1CCCC(=O)O.
What is the InChIKey of 4-(2-aminopiperidin-1-yl)butanoic acid?
The InChIKey is QQICCAQKIREEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c10-8-4-1-2-6-11(8)7-3-5-9(12)13/h8H,1-7,10H2,(H,12,13).
What are the key properties of 4-(2-aminopiperidin-1-yl)butanoic acid?
4-(2-aminopiperidin-1-yl)butanoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopiperidin-1-yl)butanoic acid is sourced from PubChem (CID 77220070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).