2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid

C10H18N2O3 — CID 18734979

IUPAC2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)C1CCN(C)CC1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(10(14)15)11-9(13)8-3-5-12(2)6-4-8/h7-8H,3-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyORUJZECKPHOVHL-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.08
Rot. Bonds3

About 2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid

2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid (PubChem CID 18734979) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid
PubChem CID18734979
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)C1CCN(C)CC1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(10(14)15)11-9(13)8-3-5-12(2)6-4-8/h7-8H,3-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyORUJZECKPHOVHL-UHFFFAOYSA-N
XLogP-0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid (CID 18734979) is 2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid is CC(NC(=O)C1CCN(C)CC1)C(=O)O.
What is the InChIKey of 2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid?
The InChIKey is ORUJZECKPHOVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(10(14)15)11-9(13)8-3-5-12(2)6-4-8/h7-8H,3-6H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid?
2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid has a molecular weight of 214.26 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 18734979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).