2-[[(2-piperidin-4-ylacetyl)amino]methyl]butanoic acid

C12H22N2O3 — CID 65224540

IUPAC2-[[(2-piperidin-4-ylacetyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)CC1CCNCC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-2-10(12(16)17)8-14-11(15)7-9-3-5-13-6-4-9/h9-10,13H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyIFISNDYUBXOERY-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.60
Rot. Bonds6

About 2-[[(2-piperidin-4-ylacetyl)amino]methyl]butanoic acid

2-[[(2-piperidin-4-ylacetyl)amino]methyl]butanoic acid (PubChem CID 65224540) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[(2-piperidin-4-ylacetyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(2-piperidin-4-ylacetyl)amino]methyl]butanoic acid
PubChem CID65224540
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[(2-piperidin-4-ylacetyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)CC1CCNCC1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-2-10(12(16)17)8-14-11(15)7-9-3-5-13-6-4-9/h9-10,13H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyIFISNDYUBXOERY-UHFFFAOYSA-N
XLogP0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[(2-piperidin-4-ylacetyl)amino]propanoic acid
CID 67154253
N-[(2S)-2-methylsulfanylpropyl]-2-piperidin-4-ylacetamide
CID 99596160
2-[[(2-cyclobutylacetyl)amino]methyl]-4-methylpentanoic acid
CID 103925732
N-(2-hydroxy-2-phenylethyl)-2-piperidin-4-ylacetamide
CID 54910069
N-[2-(dimethylamino)-4-methylpentyl]-2-piperidin-4-ylacetamide
CID 61274494
2-piperidin-4-yl-N-prop-2-ynylacetamide
CID 61028682
3-methyl-2-[(3-piperidin-4-ylpropanoylamino)methyl]butanoic acid
CID 65224381
3-[[(2-piperidin-3-ylacetyl)amino]methyl]pentanoic acid
CID 81073402
N-(2-aminobutyl)-2-cyclopropylacetamide
CID 63733245
3-hydroxy-2-[(2-piperidin-4-ylacetyl)amino]propanoic acid
CID 61157563
2-piperidin-4-yl-N-propylsulfonylacetamide
CID 103307321
N-(4-hydroxybutan-2-yl)-2-piperidin-4-ylacetamide
CID 83177313

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-piperidin-4-ylacetyl)amino]methyl]butanoic acid?
The IUPAC name of 2-[[(2-piperidin-4-ylacetyl)amino]methyl]butanoic acid (CID 65224540) is 2-[[(2-piperidin-4-ylacetyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(2-piperidin-4-ylacetyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-[[(2-piperidin-4-ylacetyl)amino]methyl]butanoic acid is CCC(CNC(=O)CC1CCNCC1)C(=O)O.
What is the InChIKey of 2-[[(2-piperidin-4-ylacetyl)amino]methyl]butanoic acid?
The InChIKey is IFISNDYUBXOERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-10(12(16)17)8-14-11(15)7-9-3-5-13-6-4-9/h9-10,13H,2-8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[(2-piperidin-4-ylacetyl)amino]methyl]butanoic acid?
2-[[(2-piperidin-4-ylacetyl)amino]methyl]butanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-piperidin-4-ylacetyl)amino]methyl]butanoic acid is sourced from PubChem (CID 65224540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).