3,3-dicyclopropyl-3-hydroxypropanoic acid

C9H14O3 — CID 18626409

IUPAC3,3-dicyclopropyl-3-hydroxypropanoic acid
SMILESO=C(O)CC(O)(C1CC1)C1CC1
InChIInChI=1S/C9H14O3/c10-8(11)5-9(12,6-1-2-6)7-3-4-7/h6-7,12H,1-5H2,(H,10,11)
InChIKeyWCLJNAZSZRCSFE-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.01
Rot. Bonds4

About 3,3-dicyclopropyl-3-hydroxypropanoic acid

3,3-dicyclopropyl-3-hydroxypropanoic acid (PubChem CID 18626409) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3,3-dicyclopropyl-3-hydroxypropanoic acid.

Molecular Properties

Compound Name3,3-dicyclopropyl-3-hydroxypropanoic acid
PubChem CID18626409
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name3,3-dicyclopropyl-3-hydroxypropanoic acid
SMILESO=C(O)CC(O)(C1CC1)C1CC1
InChIInChI=1S/C9H14O3/c10-8(11)5-9(12,6-1-2-6)7-3-4-7/h6-7,12H,1-5H2,(H,10,11)
InChIKeyWCLJNAZSZRCSFE-UHFFFAOYSA-N
XLogP1.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-(ethylamino)butanoic acid
CID 65234034
2-cyclopentyl-2-hydroxybutanedioic acid
CID 165483001
2-(carboxymethylamino)-2-cyclopropylpropanedioic acid
CID 70180672
3-(4-ethylcyclohexyl)-3-methylbutanoic acid
CID 81004196
3-cyclopentyl-3-hydroxypent-4-enoic acid
CID 46835646
4-cyclopropyl-4-hydroxypentanoic acid
CID 66324061
3-cyclopropyl-3-pyrrolidin-1-ylbutanoic acid
CID 64528337
3-amino-3-cyclopentylbutanoic acid
CID 55295139
(3R)-3-amino-3-cyclopentylbutanoic acid
CID 55294909
1,1-dicyclopropyl-2-nitroethanol
CID 135040023
3-cyclopentyl-4-hydroxy-3-methylbutanoic acid
CID 105442131
3-methyl-3-(thian-4-yl)butanoic acid
CID 83819551

Frequently Asked Questions

What is the IUPAC name of 3,3-dicyclopropyl-3-hydroxypropanoic acid?
The IUPAC name of 3,3-dicyclopropyl-3-hydroxypropanoic acid (CID 18626409) is 3,3-dicyclopropyl-3-hydroxypropanoic acid.
What is the SMILES notation for 3,3-dicyclopropyl-3-hydroxypropanoic acid?
The canonical SMILES for 3,3-dicyclopropyl-3-hydroxypropanoic acid is O=C(O)CC(O)(C1CC1)C1CC1.
What is the InChIKey of 3,3-dicyclopropyl-3-hydroxypropanoic acid?
The InChIKey is WCLJNAZSZRCSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c10-8(11)5-9(12,6-1-2-6)7-3-4-7/h6-7,12H,1-5H2,(H,10,11).
What are the key properties of 3,3-dicyclopropyl-3-hydroxypropanoic acid?
3,3-dicyclopropyl-3-hydroxypropanoic acid has a molecular weight of 170.21 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dicyclopropyl-3-hydroxypropanoic acid is sourced from PubChem (CID 18626409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).