3-(piperidine-1-carbonylamino)propanoic acid

C9H16N2O3 — CID 28510474

IUPAC3-(piperidine-1-carbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)N1CCCCC1
InChIInChI=1S/C9H16N2O3/c12-8(13)4-5-10-9(14)11-6-2-1-3-7-11/h1-7H2,(H,10,14)(H,12,13)
InChIKeyNQCJIYYLWWOWPY-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.66
Rot. Bonds3

About 3-(piperidine-1-carbonylamino)propanoic acid

3-(piperidine-1-carbonylamino)propanoic acid (PubChem CID 28510474) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(piperidine-1-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(piperidine-1-carbonylamino)propanoic acid
PubChem CID28510474
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-(piperidine-1-carbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)N1CCCCC1
InChIInChI=1S/C9H16N2O3/c12-8(13)4-5-10-9(14)11-6-2-1-3-7-11/h1-7H2,(H,10,14)(H,12,13)
InChIKeyNQCJIYYLWWOWPY-UHFFFAOYSA-N
XLogP0.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidine-1-carbonylamino)propanoic acid?
The IUPAC name of 3-(piperidine-1-carbonylamino)propanoic acid (CID 28510474) is 3-(piperidine-1-carbonylamino)propanoic acid.
What is the SMILES notation for 3-(piperidine-1-carbonylamino)propanoic acid?
The canonical SMILES for 3-(piperidine-1-carbonylamino)propanoic acid is O=C(O)CCNC(=O)N1CCCCC1.
What is the InChIKey of 3-(piperidine-1-carbonylamino)propanoic acid?
The InChIKey is NQCJIYYLWWOWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c12-8(13)4-5-10-9(14)11-6-2-1-3-7-11/h1-7H2,(H,10,14)(H,12,13).
What are the key properties of 3-(piperidine-1-carbonylamino)propanoic acid?
3-(piperidine-1-carbonylamino)propanoic acid has a molecular weight of 200.24 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidine-1-carbonylamino)propanoic acid is sourced from PubChem (CID 28510474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).