3-[(4-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid

C11H20N2O5 — CID 66164892

IUPAC3-[(4-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid
SMILESCCOC1CCN(C(=O)NCC(O)C(=O)O)CC1
InChIInChI=1S/C11H20N2O5/c1-2-18-8-3-5-13(6-4-8)11(17)12-7-9(14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyHVSJEZQNGHFHEF-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.36
Rot. Bonds5

About 3-[(4-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid

3-[(4-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid (PubChem CID 66164892) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[(4-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(4-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid
PubChem CID66164892
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name3-[(4-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid
SMILESCCOC1CCN(C(=O)NCC(O)C(=O)O)CC1
InChIInChI=1S/C11H20N2O5/c1-2-18-8-3-5-13(6-4-8)11(17)12-7-9(14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyHVSJEZQNGHFHEF-UHFFFAOYSA-N
XLogP-0.36
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-[(3-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 107839176
2-hydroxy-3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
CID 66167975
(2S)-2-hydroxy-3-[(4-propan-2-ylazepane-1-carbonyl)amino]propanoic acid
CID 107840142
3-[(4-ethylazepane-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166177
(2S)-2-hydroxy-3-[(4-methylazepane-1-carbonyl)amino]propanoic acid
CID 107839970
3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid
CID 61216878
(2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
CID 107839175
(2S)-3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid
CID 107838219
3-(azocane-1-carbonylamino)-2-hydroxypropanoic acid
CID 66165088
(2S)-3-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-hydroxypropanoic acid
CID 114007350
3-[1-(2-methylpropylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63877301
(2R)-4-amino-2-[(4-ethoxypiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 107826479

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(4-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid (CID 66164892) is 3-[(4-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(4-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(4-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid is CCOC1CCN(C(=O)NCC(O)C(=O)O)CC1.
What is the InChIKey of 3-[(4-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid?
The InChIKey is HVSJEZQNGHFHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-2-18-8-3-5-13(6-4-8)11(17)12-7-9(14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 3-[(4-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid?
3-[(4-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66164892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).