3-[(4-tert-butyl-3-hydroxypiperidine-1-carbonyl)amino]propanoic acid

C13H24N2O4 — CID 122017885

IUPAC3-[(4-tert-butyl-3-hydroxypiperidine-1-carbonyl)amino]propanoic acid
SMILESCC(C)(C)C1CCN(C(=O)NCCC(=O)O)CC1O
InChIInChI=1S/C13H24N2O4/c1-13(2,3)9-5-7-15(8-10(9)16)12(19)14-6-4-11(17)18/h9-10,16H,4-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyMCTPRBKLQLDMPZ-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.90
Rot. Bonds3

About 3-[(4-tert-butyl-3-hydroxypiperidine-1-carbonyl)amino]propanoic acid

3-[(4-tert-butyl-3-hydroxypiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 122017885) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[(4-tert-butyl-3-hydroxypiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4-tert-butyl-3-hydroxypiperidine-1-carbonyl)amino]propanoic acid
PubChem CID122017885
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-[(4-tert-butyl-3-hydroxypiperidine-1-carbonyl)amino]propanoic acid
SMILESCC(C)(C)C1CCN(C(=O)NCCC(=O)O)CC1O
InChIInChI=1S/C13H24N2O4/c1-13(2,3)9-5-7-15(8-10(9)16)12(19)14-6-4-11(17)18/h9-10,16H,4-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyMCTPRBKLQLDMPZ-UHFFFAOYSA-N
XLogP0.90
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(4-tert-butyl-3-hydroxypiperidine-1-carbonyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 102962215
3-[[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 122018174
3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 114799133
3-[[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]amino]propanoic acid
CID 122019443
3-[(7-methyl-1,4-thiazepane-4-carbonyl)amino]propanoic acid
CID 122018365
6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]hexanoic acid
CID 114679485
3-[(3-methylsulfanylazepane-1-carbonyl)amino]propanoic acid
CID 122018468
6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-methylhexanoic acid
CID 114679610
3-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62211698
6-[(4-aminopiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65289949
4-[2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]ethyl]heptanoic acid
CID 115965821
3-[(3,3,5,5-tetramethylpiperidine-1-carbonyl)amino]propanoic acid
CID 122017870

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butyl-3-hydroxypiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(4-tert-butyl-3-hydroxypiperidine-1-carbonyl)amino]propanoic acid (CID 122017885) is 3-[(4-tert-butyl-3-hydroxypiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(4-tert-butyl-3-hydroxypiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(4-tert-butyl-3-hydroxypiperidine-1-carbonyl)amino]propanoic acid is CC(C)(C)C1CCN(C(=O)NCCC(=O)O)CC1O.
What is the InChIKey of 3-[(4-tert-butyl-3-hydroxypiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is MCTPRBKLQLDMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)9-5-7-15(8-10(9)16)12(19)14-6-4-11(17)18/h9-10,16H,4-8H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 3-[(4-tert-butyl-3-hydroxypiperidine-1-carbonyl)amino]propanoic acid?
3-[(4-tert-butyl-3-hydroxypiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butyl-3-hydroxypiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 122017885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).