2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid

C13H24N2O4 — CID 65221277

IUPAC2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid
SMILESCCOC1CCCN(C(=O)NCC(CC)C(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-3-10(12(16)17)8-14-13(18)15-7-5-6-11(9-15)19-4-2/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyJTHPCQLGEABAPJ-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.31
Rot. Bonds6

About 2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid

2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid (PubChem CID 65221277) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid
PubChem CID65221277
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid
SMILESCCOC1CCCN(C(=O)NCC(CC)C(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-3-10(12(16)17)8-14-13(18)15-7-5-6-11(9-15)19-4-2/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyJTHPCQLGEABAPJ-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[(3-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 107839176
2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65221372
(2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
CID 107839175
(2S)-2-[(3-ethoxypiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 54990167
2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 54990215
2-[[(4-tert-butylazepane-1-carbonyl)amino]methyl]butanoic acid
CID 65226928
(2S)-2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63305383
N-cyclohexyl-3-ethoxypiperidine-1-carboxamide
CID 115592808
2-[[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]butanoic acid
CID 65226508
2-[[(3-aminopiperidine-1-carbonyl)amino]methyl]pentanoic acid
CID 65223287
4-methyl-5-[(3-propoxypiperidine-1-carbonyl)amino]pentanoic acid
CID 82014865
2-[[(4-methoxycarbonylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 65217912

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid (CID 65221277) is 2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid is CCOC1CCCN(C(=O)NCC(CC)C(=O)O)C1.
What is the InChIKey of 2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid?
The InChIKey is JTHPCQLGEABAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-10(12(16)17)8-14-13(18)15-7-5-6-11(9-15)19-4-2/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid?
2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 65221277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).