3-oxo-3-(piperidin-1-ylamino)propanoic acid

C8H14N2O3 — CID 83024092

IUPAC3-oxo-3-(piperidin-1-ylamino)propanoic acid
SMILESO=C(O)CC(=O)NN1CCCCC1
InChIInChI=1S/C8H14N2O3/c11-7(6-8(12)13)9-10-4-2-1-3-5-10/h1-6H2,(H,9,11)(H,12,13)
InChIKeyKZDWDNUSFAAZGK-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.02
Rot. Bonds3

About 3-oxo-3-(piperidin-1-ylamino)propanoic acid

3-oxo-3-(piperidin-1-ylamino)propanoic acid (PubChem CID 83024092) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-oxo-3-(piperidin-1-ylamino)propanoic acid.

Molecular Properties

Compound Name3-oxo-3-(piperidin-1-ylamino)propanoic acid
PubChem CID83024092
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name3-oxo-3-(piperidin-1-ylamino)propanoic acid
SMILESO=C(O)CC(=O)NN1CCCCC1
InChIInChI=1S/C8H14N2O3/c11-7(6-8(12)13)9-10-4-2-1-3-5-10/h1-6H2,(H,9,11)(H,12,13)
InChIKeyKZDWDNUSFAAZGK-UHFFFAOYSA-N
XLogP-0.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-piperidin-1-ylacetamide
CID 11480586
2-chloro-N-piperidin-1-ylacetamide
CID 17164466
N-(azepan-1-yl)butanamide
CID 67379865
2-[1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentyl]acetic acid
CID 83004766
1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclohexane-1-carboxylic acid
CID 83004969
1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 83005184
2-[carboxymethyl(piperidin-1-ylcarbamoyl)amino]acetic acid
CID 83019576
1,3-dipyrrolidin-1-ylurea
CID 140976479
[5-oxo-5-(piperidin-1-ylamino)pentyl] nitrate
CID 67829642
4-amino-5-oxo-5-(piperidin-1-ylamino)pentanoic acid
CID 83021302
1-[2-oxo-2-(piperidin-1-ylamino)ethyl]pyrrole-2-carboxylic acid
CID 83023632
N-pyrrolidin-1-ylacetamide
CID 22023174

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-(piperidin-1-ylamino)propanoic acid?
The IUPAC name of 3-oxo-3-(piperidin-1-ylamino)propanoic acid (CID 83024092) is 3-oxo-3-(piperidin-1-ylamino)propanoic acid.
What is the SMILES notation for 3-oxo-3-(piperidin-1-ylamino)propanoic acid?
The canonical SMILES for 3-oxo-3-(piperidin-1-ylamino)propanoic acid is O=C(O)CC(=O)NN1CCCCC1.
What is the InChIKey of 3-oxo-3-(piperidin-1-ylamino)propanoic acid?
The InChIKey is KZDWDNUSFAAZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c11-7(6-8(12)13)9-10-4-2-1-3-5-10/h1-6H2,(H,9,11)(H,12,13).
What are the key properties of 3-oxo-3-(piperidin-1-ylamino)propanoic acid?
3-oxo-3-(piperidin-1-ylamino)propanoic acid has a molecular weight of 186.21 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-(piperidin-1-ylamino)propanoic acid is sourced from PubChem (CID 83024092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).