3-(azocan-1-yl)-2-hydroxypropanoic acid

C10H19NO3 — CID 130593606

IUPAC3-(azocan-1-yl)-2-hydroxypropanoic acid
SMILESO=C(O)C(O)CN1CCCCCCC1
InChIInChI=1S/C10H19NO3/c12-9(10(13)14)8-11-6-4-2-1-3-5-7-11/h9,12H,1-8H2,(H,13,14)
InChIKeyVIRQSXOSNBRDOR-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.70
Rot. Bonds3

About 3-(azocan-1-yl)-2-hydroxypropanoic acid

3-(azocan-1-yl)-2-hydroxypropanoic acid (PubChem CID 130593606) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(azocan-1-yl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(azocan-1-yl)-2-hydroxypropanoic acid
PubChem CID130593606
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-(azocan-1-yl)-2-hydroxypropanoic acid
SMILESO=C(O)C(O)CN1CCCCCCC1
InChIInChI=1S/C10H19NO3/c12-9(10(13)14)8-11-6-4-2-1-3-5-7-11/h9,12H,1-8H2,(H,13,14)
InChIKeyVIRQSXOSNBRDOR-UHFFFAOYSA-N
XLogP0.70
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 130593607
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(2S)-2-hydroxy-3-pyrrolidin-1-ylpropanamide
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4-(azepan-1-yl)-3-hydroxybutanoic acid
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(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid
CID 51704154
2-(azepan-1-ylmethyl)-3,3-dimethylbutanoic acid
CID 117242461
2-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanoic acid
CID 130593683
4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoic acid
CID 107474872
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
2-ethoxy-3-piperidin-1-ylpropanoic acid
CID 63068223
1-(azacyclododec-1-yl)propan-2-ol
CID 58868254
2-hydroxy-1-[4-(2-hydroxy-4-methyl-3-oxopentyl)-1,4-diazepan-1-yl]-4-methylpentan-3-one
CID 86764694

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-2-hydroxypropanoic acid?
The IUPAC name of 3-(azocan-1-yl)-2-hydroxypropanoic acid (CID 130593606) is 3-(azocan-1-yl)-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(azocan-1-yl)-2-hydroxypropanoic acid?
The canonical SMILES for 3-(azocan-1-yl)-2-hydroxypropanoic acid is O=C(O)C(O)CN1CCCCCCC1.
What is the InChIKey of 3-(azocan-1-yl)-2-hydroxypropanoic acid?
The InChIKey is VIRQSXOSNBRDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c12-9(10(13)14)8-11-6-4-2-1-3-5-7-11/h9,12H,1-8H2,(H,13,14).
What are the key properties of 3-(azocan-1-yl)-2-hydroxypropanoic acid?
3-(azocan-1-yl)-2-hydroxypropanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)-2-hydroxypropanoic acid is sourced from PubChem (CID 130593606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).