3-[ethyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid

C14H26N2O3 — CID 83056051

IUPAC3-[ethyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCCCC1CCCCN1C(=O)N(CC)CCC(=O)O
InChIInChI=1S/C14H26N2O3/c1-3-7-12-8-5-6-10-16(12)14(19)15(4-2)11-9-13(17)18/h12H,3-11H2,1-2H3,(H,17,18)
InChIKeyDNMWCPAJWBPEOI-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.56
Rot. Bonds6

About 3-[ethyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid

3-[ethyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 83056051) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[ethyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid
PubChem CID83056051
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[ethyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCCCC1CCCCN1C(=O)N(CC)CCC(=O)O
InChIInChI=1S/C14H26N2O3/c1-3-7-12-8-5-6-10-16(12)14(19)15(4-2)11-9-13(17)18/h12H,3-11H2,1-2H3,(H,17,18)
InChIKeyDNMWCPAJWBPEOI-UHFFFAOYSA-N
XLogP2.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83055352
2-[propyl-(2-propylpiperidine-1-carbonyl)amino]acetic acid
CID 83055974
6-oxo-6-(2-propylpiperidin-1-yl)hexanoic acid
CID 83052295
3-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid
CID 83055756
3-[1-[methyl(pentan-3-yl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62218106
3-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]propanoic acid
CID 62331863
4-methyl-3-[(2-propylpiperidine-1-carbonyl)amino]pentanoic acid
CID 83055439
3-(ethylamino)-2-methyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83052878
2-[1-[butyl(2-hydroxyethyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61447659
3-[1-[2-methylpropyl(propan-2-yl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62212214
2-bromo-1-(2-propylpiperidin-1-yl)ethanone
CID 83053246
3-[cyclohexanecarbonyl(propyl)amino]propanoic acid
CID 82324168

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid (CID 83056051) is 3-[ethyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid is CCCC1CCCCN1C(=O)N(CC)CCC(=O)O.
What is the InChIKey of 3-[ethyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is DNMWCPAJWBPEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-7-12-8-5-6-10-16(12)14(19)15(4-2)11-9-13(17)18/h12H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 3-[ethyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid?
3-[ethyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 83056051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).