3-(methylamino)propanoic acid;piperidine-1-carboxamide

C10H21N3O3 — CID 68547168

IUPAC3-(methylamino)propanoic acid;piperidine-1-carboxamide
SMILESCNCCC(=O)O.NC(=O)N1CCCCC1
InChIInChI=1S/C6H12N2O.C4H9NO2/c7-6(9)8-4-2-1-3-5-8;1-5-3-2-4(6)7/h1-5H2,(H2,7,9);5H,2-3H2,1H3,(H,6,7)
InChIKeyXPZCBVAQMHAVMG-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.23
Rot. Bonds3

About 3-(methylamino)propanoic acid;piperidine-1-carboxamide

3-(methylamino)propanoic acid;piperidine-1-carboxamide (PubChem CID 68547168) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(methylamino)propanoic acid;piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(methylamino)propanoic acid;piperidine-1-carboxamide
PubChem CID68547168
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name3-(methylamino)propanoic acid;piperidine-1-carboxamide
SMILESCNCCC(=O)O.NC(=O)N1CCCCC1
InChIInChI=1S/C6H12N2O.C4H9NO2/c7-6(9)8-4-2-1-3-5-8;1-5-3-2-4(6)7/h1-5H2,(H2,7,9);5H,2-3H2,1H3,(H,6,7)
InChIKeyXPZCBVAQMHAVMG-UHFFFAOYSA-N
XLogP0.23
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)propanoic acid;piperidine-1-carboxamide?
The IUPAC name of 3-(methylamino)propanoic acid;piperidine-1-carboxamide (CID 68547168) is 3-(methylamino)propanoic acid;piperidine-1-carboxamide.
What is the SMILES notation for 3-(methylamino)propanoic acid;piperidine-1-carboxamide?
The canonical SMILES for 3-(methylamino)propanoic acid;piperidine-1-carboxamide is CNCCC(=O)O.NC(=O)N1CCCCC1.
What is the InChIKey of 3-(methylamino)propanoic acid;piperidine-1-carboxamide?
The InChIKey is XPZCBVAQMHAVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C4H9NO2/c7-6(9)8-4-2-1-3-5-8;1-5-3-2-4(6)7/h1-5H2,(H2,7,9);5H,2-3H2,1H3,(H,6,7).
What are the key properties of 3-(methylamino)propanoic acid;piperidine-1-carboxamide?
3-(methylamino)propanoic acid;piperidine-1-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)propanoic acid;piperidine-1-carboxamide is sourced from PubChem (CID 68547168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).