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

C14H26N2O4 — CID 65221372

IUPAC2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid
SMILESCCOC1CCCN(C(=O)NCC(C(=O)O)C(C)C)C1
InChIInChI=1S/C14H26N2O4/c1-4-20-11-6-5-7-16(9-11)14(19)15-8-12(10(2)3)13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyHEVYGHOGJXHHCU-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.55
Rot. Bonds6

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

2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid (PubChem CID 65221372) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid
PubChem CID65221372
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid
SMILESCCOC1CCCN(C(=O)NCC(C(=O)O)C(C)C)C1
InChIInChI=1S/C14H26N2O4/c1-4-20-11-6-5-7-16(9-11)14(19)15-8-12(10(2)3)13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyHEVYGHOGJXHHCU-UHFFFAOYSA-N
XLogP1.55
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.55
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]butanoic acid
CID 65221277
(2S)-2-[(3-ethoxypiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 54990167
(2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
CID 107839175
3-methyl-2-[[(4-methylazepane-1-carbonyl)amino]methyl]butanoic acid
CID 65226860
2-[[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 106670775
2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 54990215
4-methyl-5-[(3-propoxypiperidine-1-carbonyl)amino]pentanoic acid
CID 82014865
2-[[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 82015397
(2S)-2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63305383
(3S)-N-[3-[benzyl(methyl)amino]-3-oxopropyl]-3-ethoxypiperidine-1-carboxamide
CID 95309425
3-methyl-2-[[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]methyl]butanoic acid
CID 79165647

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid (CID 65221372) is 2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid is CCOC1CCCN(C(=O)NCC(C(=O)O)C(C)C)C1.
What is the InChIKey of 2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid?
The InChIKey is HEVYGHOGJXHHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-20-11-6-5-7-16(9-11)14(19)15-8-12(10(2)3)13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid?
2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.55, 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]-3-methylbutanoic acid is sourced from PubChem (CID 65221372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).