1-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid

C13H22N2O5 — CID 82691045

IUPAC1-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)N1CCC(OCCO)CC1
InChIInChI=1S/C13H22N2O5/c16-8-9-20-10-2-6-15(7-3-10)12(19)14-13(11(17)18)4-1-5-13/h10,16H,1-9H2,(H,14,19)(H,17,18)
InChIKeyQCUKQASPFHKUMP-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.18
Rot. Bonds5

About 1-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid

1-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 82691045) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
PubChem CID82691045
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name1-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)N1CCC(OCCO)CC1
InChIInChI=1S/C13H22N2O5/c16-8-9-20-10-2-6-15(7-3-10)12(19)14-13(11(17)18)4-1-5-13/h10,16H,1-9H2,(H,14,19)(H,17,18)
InChIKeyQCUKQASPFHKUMP-UHFFFAOYSA-N
XLogP0.18
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 11608918
1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 61403018
1-[(4-cyclopentylpiperazine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81155811
1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81162733
3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 82691194
1-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81162430
2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 82691048
1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 64596804
(2S)-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 82691121
1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 61225245
methyl 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoacetate
CID 112617528
2-[[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 82015397

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid (CID 82691045) is 1-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid is O=C(NC1(C(=O)O)CCC1)N1CCC(OCCO)CC1.
What is the InChIKey of 1-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is QCUKQASPFHKUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c16-8-9-20-10-2-6-15(7-3-10)12(19)14-13(11(17)18)4-1-5-13/h10,16H,1-9H2,(H,14,19)(H,17,18).
What are the key properties of 1-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid?
1-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 82691045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).