4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid

C14H24N2O5 — CID 115292816

IUPAC4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOCC1)N1CCCCC1CCO
InChIInChI=1S/C14H24N2O5/c17-8-4-11-3-1-2-7-16(11)13(20)15-14(12(18)19)5-9-21-10-6-14/h11,17H,1-10H2,(H,15,20)(H,18,19)
InChIKeyPCFVYMJQULJOTI-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.57
Rot. Bonds4

About 4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid

4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid (PubChem CID 115292816) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid
PubChem CID115292816
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOCC1)N1CCCCC1CCO
InChIInChI=1S/C14H24N2O5/c17-8-4-11-3-1-2-7-16(11)13(20)15-14(12(18)19)5-9-21-10-6-14/h11,17H,1-10H2,(H,15,20)(H,18,19)
InChIKeyPCFVYMJQULJOTI-UHFFFAOYSA-N
XLogP0.57
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 116635668
2-[1-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 79846736
4-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 114799059
1-[(2-ethylpyrrolidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 61208422
3-[(2-methylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 64891868
2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid
CID 43445645
4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 115292897
N-cyclopentyl-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 78942638
2-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 60956630
4-[[2-(3-fluorophenyl)azepane-1-carbonyl]amino]oxane-4-carboxylic acid
CID 131942598
4-[[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 115440404
3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 113485751

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid (CID 115292816) is 4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid is O=C(NC1(C(=O)O)CCOCC1)N1CCCCC1CCO.
What is the InChIKey of 4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid?
The InChIKey is PCFVYMJQULJOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c17-8-4-11-3-1-2-7-16(11)13(20)15-14(12(18)19)5-9-21-10-6-14/h11,17H,1-10H2,(H,15,20)(H,18,19).
What are the key properties of 4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid?
4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid is sourced from PubChem (CID 115292816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).