2-[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]acetic acid

C11H13NO2 — CID 140830560

IUPAC2-[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]acetic acid
SMILESCc1ccc([C@@H]2C[C@H]2CC(=O)O)cn1
InChIInChI=1S/C11H13NO2/c1-7-2-3-8(6-12-7)10-4-9(10)5-11(13)14/h2-3,6,9-10H,4-5H2,1H3,(H,13,14)/t9-,10-/m0/s1
InChIKeyVTAGCMKTYWUSFI-UWVGGRQHSA-N
MW191.23 g/mol
LogP1.97
Rot. Bonds3

About 2-[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]acetic acid

2-[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]acetic acid (PubChem CID 140830560) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]acetic acid
PubChem CID140830560
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]acetic acid
SMILESCc1ccc([C@@H]2C[C@H]2CC(=O)O)cn1
InChIInChI=1S/C11H13NO2/c1-7-2-3-8(6-12-7)10-4-9(10)5-11(13)14/h2-3,6,9-10H,4-5H2,1H3,(H,13,14)/t9-,10-/m0/s1
InChIKeyVTAGCMKTYWUSFI-UWVGGRQHSA-N
XLogP1.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(6-methyl-3-pyridinyl)cyclopropyl]methanol
CID 104824173
4-methyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 81020389
4-ethyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 81021300
2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 81008761
4-tert-butyl-2-(6-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 81020670
2-(6-methyl-3-pyridinyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020663
2-(6-methyl-3-pyridinyl)cyclobutan-1-amine
CID 81013608
ethyl 2-[2-(6-methoxy-3-pyridinyl)cyclopropyl]acetate
CID 59988842
N-[[4-methyl-2-(6-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
CID 81031650
4-(6-methyl-3-pyridinyl)pyrrolidine-3-carboxamide
CID 114487146
2-(6-methyl-3-pyridinyl)cycloheptan-1-amine
CID 63156067
(3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55293917

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]acetic acid (CID 140830560) is 2-[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]acetic acid is Cc1ccc([C@@H]2C[C@H]2CC(=O)O)cn1.
What is the InChIKey of 2-[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]acetic acid?
The InChIKey is VTAGCMKTYWUSFI-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-2-3-8(6-12-7)10-4-9(10)5-11(13)14/h2-3,6,9-10H,4-5H2,1H3,(H,13,14)/t9-,10-/m0/s1.
What are the key properties of 2-[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]acetic acid?
2-[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]acetic acid has a molecular weight of 191.23 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]acetic acid is sourced from PubChem (CID 140830560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).