3-[(3,3,5,5-tetramethylpiperidine-1-carbonyl)amino]propanoic acid

C13H24N2O3 — CID 122017870

IUPAC3-[(3,3,5,5-tetramethylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1(C)CN(C(=O)NCCC(=O)O)CC(C)(C)C1
InChIInChI=1S/C13H24N2O3/c1-12(2)7-13(3,4)9-15(8-12)11(18)14-6-5-10(16)17/h5-9H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyWMCOSCIIAUBXJD-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.93
Rot. Bonds3

About 3-[(3,3,5,5-tetramethylpiperidine-1-carbonyl)amino]propanoic acid

3-[(3,3,5,5-tetramethylpiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 122017870) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(3,3,5,5-tetramethylpiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(3,3,5,5-tetramethylpiperidine-1-carbonyl)amino]propanoic acid
PubChem CID122017870
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[(3,3,5,5-tetramethylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1(C)CN(C(=O)NCCC(=O)O)CC(C)(C)C1
InChIInChI=1S/C13H24N2O3/c1-12(2)7-13(3,4)9-15(8-12)11(18)14-6-5-10(16)17/h5-9H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyWMCOSCIIAUBXJD-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]propanoic acid
CID 122017931
3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]propanoic acid
CID 114777782
3-[(4-ethylpiperazine-1-carbonyl)amino]propanoic acid
CID 61190436
3-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]propanoic acid
CID 61203101
7-[(4,4-dimethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 62931364
3-[(4-methyl-1,4-diazepane-1-carbonyl)amino]propanoic acid
CID 61193497
3-[(7-methyl-1,4-thiazepane-4-carbonyl)amino]propanoic acid
CID 122018365
3,3-dimethyl-N-propylpyrrolidine-1-carboxamide
CID 115661017
3-[(4-tert-butyl-3-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 122017885
3-[(4,4-diethylazepane-1-carbonyl)amino]propanoic acid
CID 122018412
4-[[2,2,6-trimethyl-6-(trifluoromethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 122021975
3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 112681935

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3,5,5-tetramethylpiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(3,3,5,5-tetramethylpiperidine-1-carbonyl)amino]propanoic acid (CID 122017870) is 3-[(3,3,5,5-tetramethylpiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(3,3,5,5-tetramethylpiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(3,3,5,5-tetramethylpiperidine-1-carbonyl)amino]propanoic acid is CC1(C)CN(C(=O)NCCC(=O)O)CC(C)(C)C1.
What is the InChIKey of 3-[(3,3,5,5-tetramethylpiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is WMCOSCIIAUBXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-12(2)7-13(3,4)9-15(8-12)11(18)14-6-5-10(16)17/h5-9H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 3-[(3,3,5,5-tetramethylpiperidine-1-carbonyl)amino]propanoic acid?
3-[(3,3,5,5-tetramethylpiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3,5,5-tetramethylpiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 122017870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).