2-[(1R,2R)-2-(4-hydroxy-4-methylpentyl)cyclopropyl]acetic acid

C11H20O3 — CID 156581427

IUPAC2-[(1R,2R)-2-(4-hydroxy-4-methylpentyl)cyclopropyl]acetic acid
SMILESCC(C)(O)CCC[C@@H]1C[C@@H]1CC(=O)O
InChIInChI=1S/C11H20O3/c1-11(2,14)5-3-4-8-6-9(8)7-10(12)13/h8-9,14H,3-7H2,1-2H3,(H,12,13)/t8-,9-/m1/s1
InChIKeyPBXVPNFFTUVJNS-RKDXNWHRSA-N
MW200.28 g/mol
LogP2.04
Rot. Bonds6

About 2-[(1R,2R)-2-(4-hydroxy-4-methylpentyl)cyclopropyl]acetic acid

2-[(1R,2R)-2-(4-hydroxy-4-methylpentyl)cyclopropyl]acetic acid (PubChem CID 156581427) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[(1R,2R)-2-(4-hydroxy-4-methylpentyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2R)-2-(4-hydroxy-4-methylpentyl)cyclopropyl]acetic acid
PubChem CID156581427
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-[(1R,2R)-2-(4-hydroxy-4-methylpentyl)cyclopropyl]acetic acid
SMILESCC(C)(O)CCC[C@@H]1C[C@@H]1CC(=O)O
InChIInChI=1S/C11H20O3/c1-11(2,14)5-3-4-8-6-9(8)7-10(12)13/h8-9,14H,3-7H2,1-2H3,(H,12,13)/t8-,9-/m1/s1
InChIKeyPBXVPNFFTUVJNS-RKDXNWHRSA-N
XLogP2.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-(4-hydroxy-4-methylpentyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[(1R,2R)-2-(4-hydroxy-4-methylpentyl)cyclopropyl]acetic acid (CID 156581427) is 2-[(1R,2R)-2-(4-hydroxy-4-methylpentyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[(1R,2R)-2-(4-hydroxy-4-methylpentyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[(1R,2R)-2-(4-hydroxy-4-methylpentyl)cyclopropyl]acetic acid is CC(C)(O)CCC[C@@H]1C[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(1R,2R)-2-(4-hydroxy-4-methylpentyl)cyclopropyl]acetic acid?
The InChIKey is PBXVPNFFTUVJNS-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H20O3/c1-11(2,14)5-3-4-8-6-9(8)7-10(12)13/h8-9,14H,3-7H2,1-2H3,(H,12,13)/t8-,9-/m1/s1.
What are the key properties of 2-[(1R,2R)-2-(4-hydroxy-4-methylpentyl)cyclopropyl]acetic acid?
2-[(1R,2R)-2-(4-hydroxy-4-methylpentyl)cyclopropyl]acetic acid has a molecular weight of 200.28 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-(4-hydroxy-4-methylpentyl)cyclopropyl]acetic acid is sourced from PubChem (CID 156581427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).