piperidine-1-carboxamide;3-(propan-2-ylamino)propanoic acid

C12H25N3O3 — CID 68551275

IUPACpiperidine-1-carboxamide;3-(propan-2-ylamino)propanoic acid
SMILESCC(C)NCCC(=O)O.NC(=O)N1CCCCC1
InChIInChI=1S/C6H12N2O.C6H13NO2/c7-6(9)8-4-2-1-3-5-8;1-5(2)7-4-3-6(8)9/h1-5H2,(H2,7,9);5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyXWSFCYPWONVYHO-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.01
Rot. Bonds4

About piperidine-1-carboxamide;3-(propan-2-ylamino)propanoic acid

piperidine-1-carboxamide;3-(propan-2-ylamino)propanoic acid (PubChem CID 68551275) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is piperidine-1-carboxamide;3-(propan-2-ylamino)propanoic acid.

Molecular Properties

Compound Namepiperidine-1-carboxamide;3-(propan-2-ylamino)propanoic acid
PubChem CID68551275
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Namepiperidine-1-carboxamide;3-(propan-2-ylamino)propanoic acid
SMILESCC(C)NCCC(=O)O.NC(=O)N1CCCCC1
InChIInChI=1S/C6H12N2O.C6H13NO2/c7-6(9)8-4-2-1-3-5-8;1-5(2)7-4-3-6(8)9/h1-5H2,(H2,7,9);5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyXWSFCYPWONVYHO-UHFFFAOYSA-N
XLogP1.01
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidine-1-carboxamide;3-(propan-2-ylamino)propanoic acid?
The IUPAC name of piperidine-1-carboxamide;3-(propan-2-ylamino)propanoic acid (CID 68551275) is piperidine-1-carboxamide;3-(propan-2-ylamino)propanoic acid.
What is the SMILES notation for piperidine-1-carboxamide;3-(propan-2-ylamino)propanoic acid?
The canonical SMILES for piperidine-1-carboxamide;3-(propan-2-ylamino)propanoic acid is CC(C)NCCC(=O)O.NC(=O)N1CCCCC1.
What is the InChIKey of piperidine-1-carboxamide;3-(propan-2-ylamino)propanoic acid?
The InChIKey is XWSFCYPWONVYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C6H13NO2/c7-6(9)8-4-2-1-3-5-8;1-5(2)7-4-3-6(8)9/h1-5H2,(H2,7,9);5,7H,3-4H2,1-2H3,(H,8,9).
What are the key properties of piperidine-1-carboxamide;3-(propan-2-ylamino)propanoic acid?
piperidine-1-carboxamide;3-(propan-2-ylamino)propanoic acid has a molecular weight of 259.35 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-1-carboxamide;3-(propan-2-ylamino)propanoic acid is sourced from PubChem (CID 68551275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).