CID 167634596

C11H22O2 — CID 167634596

IUPAC—
SMILESCc1ccccc1C(C)CC(=O)O.[2H][2H].[2H][2H].[2H][2H].[H][2H]
InChIInChI=1S/C11H14O2.4H2/c1-8-5-3-4-6-10(8)9(2)7-11(12)13;;;;/h3-6,9H,7H2,1-2H3,(H,12,13);4*1H/i;3*1+1D;1+1
InChIKeyOHFUPHUPDSBTOC-LZYMUNFOSA-N
MW193.34 g/mol
LogP3.56
Rot. Bonds3

About CID 167634596

CID 167634596 (PubChem CID 167634596) has the molecular formula C11H22O2 and a molecular weight of 193.34 g/mol.

Molecular Properties

Compound NameCID 167634596
PubChem CID167634596
Molecular FormulaC11H22O2
Molecular Weight193.34 g/mol
Exact Mass193.21
IUPAC Name—
SMILESCc1ccccc1C(C)CC(=O)O.[2H][2H].[2H][2H].[2H][2H].[H][2H]
InChIInChI=1S/C11H14O2.4H2/c1-8-5-3-4-6-10(8)9(2)7-11(12)13;;;;/h3-6,9H,7H2,1-2H3,(H,12,13);4*1H/i;3*1+1D;1+1
InChIKeyOHFUPHUPDSBTOC-LZYMUNFOSA-N
XLogP3.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze CID 167634596 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

3-[3-(2-methylphenyl)butanoylamino]propanoic acid
CID 119177010
3-amino-4-(2-methylphenyl)pentanoic acid
CID 69407204
3-(2-chlorophenyl)butanoic acid
CID 54775987
3-naphthalen-1-ylbutanoic acid
CID 43211329
acetic acid;(3R)-3-(2-aminophenyl)butanoic acid
CID 67106940
3-(methylamino)-3-(2-methylphenyl)propanoic acid
CID 65236485
4-methyl-2-[[3-(2-methylphenyl)butanoylamino]methyl]pentanoic acid
CID 119252905
3-(2-methylphenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 112511684
3-(2,4,5-trimethylphenyl)butanoic acid
CID 4206732
3-(2-methylphenyl)-1-piperidin-1-ylbutan-1-one
CID 71930972
3-[1-(2-methylphenyl)ethylamino]propanoic acid
CID 43087225
3-[5-(difluoromethyl)-2-methylphenyl]butanoic acid
CID 84691802

Frequently Asked Questions

What is the IUPAC name of CID 167634596?
The IUPAC name of CID 167634596 (CID 167634596) is not available.
What is the SMILES notation for CID 167634596?
The canonical SMILES for CID 167634596 is Cc1ccccc1C(C)CC(=O)O.[2H][2H].[2H][2H].[2H][2H].[H][2H].
What is the InChIKey of CID 167634596?
The InChIKey is OHFUPHUPDSBTOC-LZYMUNFOSA-N. The full InChI is InChI=1S/C11H14O2.4H2/c1-8-5-3-4-6-10(8)9(2)7-11(12)13;;;;/h3-6,9H,7H2,1-2H3,(H,12,13);4*1H/i;3*1+1D;1+1.
What are the key properties of CID 167634596?
CID 167634596 has a molecular weight of 193.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167634596 is sourced from PubChem (CID 167634596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).