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

C14H26N2O3 — CID 61186708

IUPAC3-[tert-butyl-(3-methylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1CCCN(C(=O)N(CCC(=O)O)C(C)(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-11-6-5-8-15(10-11)13(19)16(14(2,3)4)9-7-12(17)18/h11H,5-10H2,1-4H3,(H,17,18)
InChIKeyCGSYUYDZIGFMPY-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.41
Rot. Bonds3

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

3-[tert-butyl-(3-methylpiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 61186708) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[tert-butyl-(3-methylpiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-(3-methylpiperidine-1-carbonyl)amino]propanoic acid
PubChem CID61186708
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[tert-butyl-(3-methylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1CCCN(C(=O)N(CCC(=O)O)C(C)(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-11-6-5-8-15(10-11)13(19)16(14(2,3)4)9-7-12(17)18/h11H,5-10H2,1-4H3,(H,17,18)
InChIKeyCGSYUYDZIGFMPY-UHFFFAOYSA-N
XLogP2.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[tert-butyl(pyrrolidine-1-carbonyl)amino]propanoic acid
CID 61186565
3-[tert-butyl-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 114799132
3-[tert-butyl(1,4-diazepane-1-carbonyl)amino]propanoic acid
CID 61402978
3-[tert-butyl-(4-hydroxy-4-methylazepane-1-carbonyl)amino]propanoic acid
CID 107405732
3-[tert-butyl-(3,4-dimethoxypyrrolidine-1-carbonyl)amino]propanoic acid
CID 103536501
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 40543101
3-[tert-butyl-(2-ethylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61206908
3-[ethyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 54899890
3-[tert-butyl-(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61200021
3-[tert-butyl-(3-oxo-1,4-diazepane-1-carbonyl)amino]propanoic acid
CID 65364092
2-[(3-aminopiperidine-1-carbonyl)-tert-butylamino]acetic acid
CID 79257422
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-(3-methylpiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-(3-methylpiperidine-1-carbonyl)amino]propanoic acid (CID 61186708) is 3-[tert-butyl-(3-methylpiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-(3-methylpiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-(3-methylpiperidine-1-carbonyl)amino]propanoic acid is CC1CCCN(C(=O)N(CCC(=O)O)C(C)(C)C)C1.
What is the InChIKey of 3-[tert-butyl-(3-methylpiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is CGSYUYDZIGFMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11-6-5-8-15(10-11)13(19)16(14(2,3)4)9-7-12(17)18/h11H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 3-[tert-butyl-(3-methylpiperidine-1-carbonyl)amino]propanoic acid?
3-[tert-butyl-(3-methylpiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-(3-methylpiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61186708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).