(2S)-2-cyclopropyloxy-3-methylpentanoic acid

C9H16O3 — CID 170443442

IUPAC(2S)-2-cyclopropyloxy-3-methylpentanoic acid
SMILESCCC(C)[C@H](OC1CC1)C(=O)O
InChIInChI=1S/C9H16O3/c1-3-6(2)8(9(10)11)12-7-4-5-7/h6-8H,3-5H2,1-2H3,(H,10,11)/t6?,8-/m0/s1
InChIKeyUWONTCAEZAFVAQ-XDKWHASVSA-N
MW172.22 g/mol
LogP1.66
Rot. Bonds5

About (2S)-2-cyclopropyloxy-3-methylpentanoic acid

(2S)-2-cyclopropyloxy-3-methylpentanoic acid (PubChem CID 170443442) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (2S)-2-cyclopropyloxy-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-cyclopropyloxy-3-methylpentanoic acid
PubChem CID170443442
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(2S)-2-cyclopropyloxy-3-methylpentanoic acid
SMILESCCC(C)[C@H](OC1CC1)C(=O)O
InChIInChI=1S/C9H16O3/c1-3-6(2)8(9(10)11)12-7-4-5-7/h6-8H,3-5H2,1-2H3,(H,10,11)/t6?,8-/m0/s1
InChIKeyUWONTCAEZAFVAQ-XDKWHASVSA-N
XLogP1.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyloxy-3-methylpentanoic acid?
The IUPAC name of (2S)-2-cyclopropyloxy-3-methylpentanoic acid (CID 170443442) is (2S)-2-cyclopropyloxy-3-methylpentanoic acid.
What is the SMILES notation for (2S)-2-cyclopropyloxy-3-methylpentanoic acid?
The canonical SMILES for (2S)-2-cyclopropyloxy-3-methylpentanoic acid is CCC(C)[C@H](OC1CC1)C(=O)O.
What is the InChIKey of (2S)-2-cyclopropyloxy-3-methylpentanoic acid?
The InChIKey is UWONTCAEZAFVAQ-XDKWHASVSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-6(2)8(9(10)11)12-7-4-5-7/h6-8H,3-5H2,1-2H3,(H,10,11)/t6?,8-/m0/s1.
What are the key properties of (2S)-2-cyclopropyloxy-3-methylpentanoic acid?
(2S)-2-cyclopropyloxy-3-methylpentanoic acid has a molecular weight of 172.22 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyloxy-3-methylpentanoic acid is sourced from PubChem (CID 170443442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).