3-(piperidine-2-carbonylamino)propanoic acid

C9H16N2O3 — CID 61157644

IUPAC3-(piperidine-2-carbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)C1CCCCN1
InChIInChI=1S/C9H16N2O3/c12-8(13)4-6-11-9(14)7-3-1-2-5-10-7/h7,10H,1-6H2,(H,11,14)(H,12,13)
InChIKeyXSLFCNANPKUCCT-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.28
Rot. Bonds4

About 3-(piperidine-2-carbonylamino)propanoic acid

3-(piperidine-2-carbonylamino)propanoic acid (PubChem CID 61157644) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(piperidine-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(piperidine-2-carbonylamino)propanoic acid
PubChem CID61157644
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-(piperidine-2-carbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)C1CCCCN1
InChIInChI=1S/C9H16N2O3/c12-8(13)4-6-11-9(14)7-3-1-2-5-10-7/h7,10H,1-6H2,(H,11,14)(H,12,13)
InChIKeyXSLFCNANPKUCCT-UHFFFAOYSA-N
XLogP-0.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-6-[[(2S)-piperidine-2-carbonyl]amino]hexanoic acid
CID 104914026
4,4-dimethyl-6-[[(2R)-piperidine-2-carbonyl]amino]hexanoic acid
CID 104914105
N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-2-carboxamide
CID 61249088
4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid
CID 82688811
(2R)-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 103795515
N-(4-hydroxybutyl)azepane-2-carboxamide
CID 106842137
N-[2-(2-methylpropanoylamino)ethyl]azepane-2-carboxamide
CID 64564235
methyl 4-(azepane-2-carbonylamino)butanoate
CID 64562876
N-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride
CID 119324861
(2R)-N-(3-hydroxybutyl)piperidine-2-carboxamide
CID 103808747
N-[2-(dimethylcarbamoylamino)ethyl]piperidine-2-carboxamide
CID 83110133
N-[3-(cyclohexylamino)-3-oxopropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119299488

Frequently Asked Questions

What is the IUPAC name of 3-(piperidine-2-carbonylamino)propanoic acid?
The IUPAC name of 3-(piperidine-2-carbonylamino)propanoic acid (CID 61157644) is 3-(piperidine-2-carbonylamino)propanoic acid.
What is the SMILES notation for 3-(piperidine-2-carbonylamino)propanoic acid?
The canonical SMILES for 3-(piperidine-2-carbonylamino)propanoic acid is O=C(O)CCNC(=O)C1CCCCN1.
What is the InChIKey of 3-(piperidine-2-carbonylamino)propanoic acid?
The InChIKey is XSLFCNANPKUCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c12-8(13)4-6-11-9(14)7-3-1-2-5-10-7/h7,10H,1-6H2,(H,11,14)(H,12,13).
What are the key properties of 3-(piperidine-2-carbonylamino)propanoic acid?
3-(piperidine-2-carbonylamino)propanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidine-2-carbonylamino)propanoic acid is sourced from PubChem (CID 61157644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).