2-(1-hydroxy-4-methylcycloheptyl)propanoic acid

C11H20O3 — CID 65085394

IUPAC2-(1-hydroxy-4-methylcycloheptyl)propanoic acid
SMILESCC1CCCC(O)(C(C)C(=O)O)CC1
InChIInChI=1S/C11H20O3/c1-8-4-3-6-11(14,7-5-8)9(2)10(12)13/h8-9,14H,3-7H2,1-2H3,(H,12,13)
InChIKeyYUOTXRGOGFZBTG-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.04
Rot. Bonds2

About 2-(1-hydroxy-4-methylcycloheptyl)propanoic acid

2-(1-hydroxy-4-methylcycloheptyl)propanoic acid (PubChem CID 65085394) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(1-hydroxy-4-methylcycloheptyl)propanoic acid.

Molecular Properties

Compound Name2-(1-hydroxy-4-methylcycloheptyl)propanoic acid
PubChem CID65085394
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-(1-hydroxy-4-methylcycloheptyl)propanoic acid
SMILESCC1CCCC(O)(C(C)C(=O)O)CC1
InChIInChI=1S/C11H20O3/c1-8-4-3-6-11(14,7-5-8)9(2)10(12)13/h8-9,14H,3-7H2,1-2H3,(H,12,13)
InChIKeyYUOTXRGOGFZBTG-UHFFFAOYSA-N
XLogP2.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(1-amino-4-methylcyclohexyl)propanoic acid
CID 166844123
cis-(1R,3R)-3-methyl-1-propan-2-ylcyclohexan-1-ol
CID 118858373
2-(1-hydroxy-4-propan-2-ylcycloheptyl)pentanoic acid
CID 83042358
2-aminopropanoic acid;methylcyclohexane
CID 145362127
4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid
CID 79425643
2-(1-hydroxy-4-methylcycloheptyl)-2-methylpropanoic acid
CID 65084607
5-methylcyclooctane-1,1-diol
CID 22461370
1-(1-aminopentan-2-yl)-4-methylcycloheptan-1-ol
CID 79415272
2-(1-hydroxy-3-methylcyclopentyl)butanoic acid
CID 64515511
2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid
CID 65116400
2-(1-hydroxy-3-propan-2-ylcyclobutyl)propanoic acid
CID 103564879
1-ethyl-4-methylcycloheptane-1-carboxylic acid
CID 89094333

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-4-methylcycloheptyl)propanoic acid?
The IUPAC name of 2-(1-hydroxy-4-methylcycloheptyl)propanoic acid (CID 65085394) is 2-(1-hydroxy-4-methylcycloheptyl)propanoic acid.
What is the SMILES notation for 2-(1-hydroxy-4-methylcycloheptyl)propanoic acid?
The canonical SMILES for 2-(1-hydroxy-4-methylcycloheptyl)propanoic acid is CC1CCCC(O)(C(C)C(=O)O)CC1.
What is the InChIKey of 2-(1-hydroxy-4-methylcycloheptyl)propanoic acid?
The InChIKey is YUOTXRGOGFZBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-8-4-3-6-11(14,7-5-8)9(2)10(12)13/h8-9,14H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(1-hydroxy-4-methylcycloheptyl)propanoic acid?
2-(1-hydroxy-4-methylcycloheptyl)propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-4-methylcycloheptyl)propanoic acid is sourced from PubChem (CID 65085394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).