3-[[(2-piperidin-3-ylacetyl)amino]methyl]pentanoic acid

C13H24N2O3 — CID 81073402

IUPAC3-[[(2-piperidin-3-ylacetyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)CC1CCCNC1)CC(=O)O
InChIInChI=1S/C13H24N2O3/c1-2-10(7-13(17)18)9-15-12(16)6-11-4-3-5-14-8-11/h10-11,14H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyCWVNIKNYBRFJLM-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.99
Rot. Bonds7

About 3-[[(2-piperidin-3-ylacetyl)amino]methyl]pentanoic acid

3-[[(2-piperidin-3-ylacetyl)amino]methyl]pentanoic acid (PubChem CID 81073402) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[[(2-piperidin-3-ylacetyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(2-piperidin-3-ylacetyl)amino]methyl]pentanoic acid
PubChem CID81073402
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[[(2-piperidin-3-ylacetyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)CC1CCCNC1)CC(=O)O
InChIInChI=1S/C13H24N2O3/c1-2-10(7-13(17)18)9-15-12(16)6-11-4-3-5-14-8-11/h10-11,14H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyCWVNIKNYBRFJLM-UHFFFAOYSA-N
XLogP0.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-2-piperidin-3-ylacetamide
CID 62674871
N-(2,3-dihydroxypropyl)-2-piperidin-3-ylacetamide
CID 66170381
N-(4-hydroxy-2-methylbutyl)-2-piperidin-3-ylacetamide
CID 66091830
3-[[(2-piperidin-4-yloxyacetyl)amino]methyl]pentanoic acid
CID 81072441
3-[(piperidine-4-carbonylamino)methyl]pentanoic acid
CID 81072442
3-[[[2-(1,4-diazepan-1-yl)acetyl]amino]methyl]pentanoic acid
CID 81073298
3-[(cyclopentylmethylcarbamoylamino)methyl]pentanoic acid
CID 81069465
N-ethyl-2-[(2-piperidin-3-ylacetyl)amino]propanamide
CID 62691243
N-(2-hydroxyethyl)-2-piperidin-3-ylacetamide
CID 22929447
N-(1-phenylpropyl)-2-piperidin-3-ylacetamide
CID 62689711
N-(2-ethoxyethyl)-2-piperidin-3-ylacetamide
CID 62689521
3-[[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]methyl]pentanoic acid
CID 81072350

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-piperidin-3-ylacetyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(2-piperidin-3-ylacetyl)amino]methyl]pentanoic acid (CID 81073402) is 3-[[(2-piperidin-3-ylacetyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(2-piperidin-3-ylacetyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(2-piperidin-3-ylacetyl)amino]methyl]pentanoic acid is CCC(CNC(=O)CC1CCCNC1)CC(=O)O.
What is the InChIKey of 3-[[(2-piperidin-3-ylacetyl)amino]methyl]pentanoic acid?
The InChIKey is CWVNIKNYBRFJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-10(7-13(17)18)9-15-12(16)6-11-4-3-5-14-8-11/h10-11,14H,2-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[[(2-piperidin-3-ylacetyl)amino]methyl]pentanoic acid?
3-[[(2-piperidin-3-ylacetyl)amino]methyl]pentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-piperidin-3-ylacetyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 81073402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).