3-[1-[methyl(pentan-3-yl)carbamoyl]piperidin-2-yl]propanoic acid

C15H28N2O3 — CID 62218106

IUPAC3-[1-[methyl(pentan-3-yl)carbamoyl]piperidin-2-yl]propanoic acid
SMILESCCC(CC)N(C)C(=O)N1CCCCC1CCC(=O)O
InChIInChI=1S/C15H28N2O3/c1-4-12(5-2)16(3)15(20)17-11-7-6-8-13(17)9-10-14(18)19/h12-13H,4-11H2,1-3H3,(H,18,19)
InChIKeyINEZGDQNBDCSCE-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.95
Rot. Bonds6

About 3-[1-[methyl(pentan-3-yl)carbamoyl]piperidin-2-yl]propanoic acid

3-[1-[methyl(pentan-3-yl)carbamoyl]piperidin-2-yl]propanoic acid (PubChem CID 62218106) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[1-[methyl(pentan-3-yl)carbamoyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[methyl(pentan-3-yl)carbamoyl]piperidin-2-yl]propanoic acid
PubChem CID62218106
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[1-[methyl(pentan-3-yl)carbamoyl]piperidin-2-yl]propanoic acid
SMILESCCC(CC)N(C)C(=O)N1CCCCC1CCC(=O)O
InChIInChI=1S/C15H28N2O3/c1-4-12(5-2)16(3)15(20)17-11-7-6-8-13(17)9-10-14(18)19/h12-13H,4-11H2,1-3H3,(H,18,19)
InChIKeyINEZGDQNBDCSCE-UHFFFAOYSA-N
XLogP2.95
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[1-cyanopropan-2-yl(methyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 63228578
3-[1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62212214
3-[methyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83055352
3-[1-(3-ethylpentan-2-ylcarbamoyl)piperidin-2-yl]propanoic acid
CID 63843411
3-[1-(3-amino-2-methylpropanoyl)piperidin-2-yl]propanoic acid
CID 62668947
2-[(2-ethylpiperidine-1-carbonyl)-methylamino]propanoic acid
CID 62637552
3-[ethyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83056051
3-[1-(2-methylsulfanylacetyl)piperidin-2-yl]propanoic acid
CID 62217465
3-(1-octanoylpiperidin-2-yl)propanoic acid
CID 62216598
3-[1-(2-ethoxyacetyl)piperidin-2-yl]propanoic acid
CID 62217281
3-[1-(2-phenylbutanoyl)piperidin-2-yl]propanoic acid
CID 120606666
6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid
CID 83052295

Frequently Asked Questions

What is the IUPAC name of 3-[1-[methyl(pentan-3-yl)carbamoyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[methyl(pentan-3-yl)carbamoyl]piperidin-2-yl]propanoic acid (CID 62218106) is 3-[1-[methyl(pentan-3-yl)carbamoyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[methyl(pentan-3-yl)carbamoyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[methyl(pentan-3-yl)carbamoyl]piperidin-2-yl]propanoic acid is CCC(CC)N(C)C(=O)N1CCCCC1CCC(=O)O.
What is the InChIKey of 3-[1-[methyl(pentan-3-yl)carbamoyl]piperidin-2-yl]propanoic acid?
The InChIKey is INEZGDQNBDCSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-12(5-2)16(3)15(20)17-11-7-6-8-13(17)9-10-14(18)19/h12-13H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 3-[1-[methyl(pentan-3-yl)carbamoyl]piperidin-2-yl]propanoic acid?
3-[1-[methyl(pentan-3-yl)carbamoyl]piperidin-2-yl]propanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[methyl(pentan-3-yl)carbamoyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62218106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).