3-[ethyl-(1-propylpiperidin-4-yl)amino]-2-methylpropanoic acid

C14H28N2O2 — CID 65062044

IUPAC3-[ethyl-(1-propylpiperidin-4-yl)amino]-2-methylpropanoic acid
SMILESCCCN1CCC(N(CC)CC(C)C(=O)O)CC1
InChIInChI=1S/C14H28N2O2/c1-4-8-15-9-6-13(7-10-15)16(5-2)11-12(3)14(17)18/h12-13H,4-11H2,1-3H3,(H,17,18)
InChIKeyNLYDHJTVOFUJOX-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.90
Rot. Bonds7

About 3-[ethyl-(1-propylpiperidin-4-yl)amino]-2-methylpropanoic acid

3-[ethyl-(1-propylpiperidin-4-yl)amino]-2-methylpropanoic acid (PubChem CID 65062044) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-[ethyl-(1-propylpiperidin-4-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-(1-propylpiperidin-4-yl)amino]-2-methylpropanoic acid
PubChem CID65062044
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-[ethyl-(1-propylpiperidin-4-yl)amino]-2-methylpropanoic acid
SMILESCCCN1CCC(N(CC)CC(C)C(=O)O)CC1
InChIInChI=1S/C14H28N2O2/c1-4-8-15-9-6-13(7-10-15)16(5-2)11-12(3)14(17)18/h12-13H,4-11H2,1-3H3,(H,17,18)
InChIKeyNLYDHJTVOFUJOX-UHFFFAOYSA-N
XLogP1.90
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(dimethylcarbamoyl)piperidin-4-yl]-ethylamino]-2-methylpropanoic acid
CID 83265975
3-[cyclopentyl(2-morpholin-4-ylethyl)amino]-2-methylpropanoic acid
CID 82330480
3-[ethyl(thian-3-yl)amino]-2-methylpropanoic acid
CID 65062096
3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid
CID 82327511
N-ethyl-N-(2-methylprop-2-enyl)-1-propylpiperidin-4-amine
CID 783901
3-[[3-(diethylamino)pyrrolidine-1-carbonyl]-methylamino]-2-methylpropanoic acid
CID 63548994
N'-ethyl-N,N-dimethyl-N'-(1-propylpiperidin-4-yl)ethane-1,2-diamine
CID 2846519
3-[cycloheptyl(hexyl)amino]-2-methylpropanoic acid
CID 82328405
2-(1-propylpiperidin-4-yl)hexanoic acid
CID 142749143
3-methyl-5-[methyl-(1-propylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 62963885
N,2-dimethyl-3-(methylamino)-N-(1-propylpiperidin-4-yl)propanamide
CID 79201989
3-[ethyl-(2-methyloxolan-3-yl)amino]-2-methylpropanoic acid
CID 82718981

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(1-propylpiperidin-4-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-(1-propylpiperidin-4-yl)amino]-2-methylpropanoic acid (CID 65062044) is 3-[ethyl-(1-propylpiperidin-4-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-(1-propylpiperidin-4-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-(1-propylpiperidin-4-yl)amino]-2-methylpropanoic acid is CCCN1CCC(N(CC)CC(C)C(=O)O)CC1.
What is the InChIKey of 3-[ethyl-(1-propylpiperidin-4-yl)amino]-2-methylpropanoic acid?
The InChIKey is NLYDHJTVOFUJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-8-15-9-6-13(7-10-15)16(5-2)11-12(3)14(17)18/h12-13H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 3-[ethyl-(1-propylpiperidin-4-yl)amino]-2-methylpropanoic acid?
3-[ethyl-(1-propylpiperidin-4-yl)amino]-2-methylpropanoic acid has a molecular weight of 256.39 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(1-propylpiperidin-4-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 65062044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).