2-cycloheptyl-3-hydroxypropanoic acid

C10H18O3 — CID 83817561

IUPAC2-cycloheptyl-3-hydroxypropanoic acid
SMILESO=C(O)C(CO)C1CCCCCC1
InChIInChI=1S/C10H18O3/c11-7-9(10(12)13)8-5-3-1-2-4-6-8/h8-9,11H,1-7H2,(H,12,13)
InChIKeyDGZGAAHXXVGKBT-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.65
Rot. Bonds3

About 2-cycloheptyl-3-hydroxypropanoic acid

2-cycloheptyl-3-hydroxypropanoic acid (PubChem CID 83817561) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-cycloheptyl-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-cycloheptyl-3-hydroxypropanoic acid
PubChem CID83817561
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-cycloheptyl-3-hydroxypropanoic acid
SMILESO=C(O)C(CO)C1CCCCCC1
InChIInChI=1S/C10H18O3/c11-7-9(10(12)13)8-5-3-1-2-4-6-8/h8-9,11H,1-7H2,(H,12,13)
InChIKeyDGZGAAHXXVGKBT-UHFFFAOYSA-N
XLogP1.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-cyclohexylpropanoic acid
CID 151396800
2-cycloheptylbutanoic acid
CID 79007061
CID 173256646
CID 173256646
2-cycloheptyl-4-methylpentanoic acid
CID 82928774
(2S)-2-cyclohexyl-3-methylsulfonylpropanoic acid
CID 99990825
(2R)-2-cyclobutyl-3-cyclopropylpropanoic acid
CID 99988116
2-cyclohexyldecanoic acid
CID 19004831
2-cyclopentyl-4-methylpent-4-enoic acid
CID 112692953
2-cyclopentylhex-4-ynoic acid
CID 112569276
2-cyclopentyltridecanoic acid
CID 22665117
(2R)-2-cycloheptyl-2-hydroxyacetic acid
CID 158640375
[(1R)-1-cyclohexyl-2-hydroxyethyl]carbamic acid
CID 90307661

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-3-hydroxypropanoic acid?
The IUPAC name of 2-cycloheptyl-3-hydroxypropanoic acid (CID 83817561) is 2-cycloheptyl-3-hydroxypropanoic acid.
What is the SMILES notation for 2-cycloheptyl-3-hydroxypropanoic acid?
The canonical SMILES for 2-cycloheptyl-3-hydroxypropanoic acid is O=C(O)C(CO)C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-3-hydroxypropanoic acid?
The InChIKey is DGZGAAHXXVGKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c11-7-9(10(12)13)8-5-3-1-2-4-6-8/h8-9,11H,1-7H2,(H,12,13).
What are the key properties of 2-cycloheptyl-3-hydroxypropanoic acid?
2-cycloheptyl-3-hydroxypropanoic acid has a molecular weight of 186.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-3-hydroxypropanoic acid is sourced from PubChem (CID 83817561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).