ethane;3-phenylpentanoic acid

C13H20O2 — CID 142147200

IUPACethane;3-phenylpentanoic acid
SMILESCC.CCC(CC(=O)O)c1ccccc1
InChIInChI=1S/C11H14O2.C2H6/c1-2-9(8-11(12)13)10-6-4-3-5-7-10;1-2/h3-7,9H,2,8H2,1H3,(H,12,13);1-2H3
InChIKeyGUZTYSDAAXYNFQ-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.68
Rot. Bonds4

About ethane;3-phenylpentanoic acid

ethane;3-phenylpentanoic acid (PubChem CID 142147200) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is ethane;3-phenylpentanoic acid.

Molecular Properties

Compound Nameethane;3-phenylpentanoic acid
PubChem CID142147200
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Nameethane;3-phenylpentanoic acid
SMILESCC.CCC(CC(=O)O)c1ccccc1
InChIInChI=1S/C11H14O2.C2H6/c1-2-9(8-11(12)13)10-6-4-3-5-7-10;1-2/h3-7,9H,2,8H2,1H3,(H,12,13);1-2H3
InChIKeyGUZTYSDAAXYNFQ-UHFFFAOYSA-N
XLogP3.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-phenylpentanoyl chloride
CID 42074098
(3R)-1,3-diphenylpentan-1-one
CID 11042799
2,2-dimethyl-5-phenylheptan-3-one
CID 15091945
(2S)-2-(3-phenylpentanoylamino)propanoic acid
CID 119238309
(2R)-2-phenyl-2-(3-phenylpentanoylamino)acetic acid
CID 119368014
3-(aminomethyl)-5-phenylheptanoic acid
CID 139821073
(3S)-3-(4-cyanophenyl)pentanoic acid
CID 46932273
2-[ethyl(3-phenylpentanoyl)amino]acetic acid
CID 119206232
3,4-diphenylhexanoic acid
CID 153127747
(3S)-5-methoxy-5-oxo-3-phenylpentanoic acid
CID 71352827
2-[3-phenylpentanoyl(propan-2-yl)amino]acetic acid
CID 119198466
3-[4-(carboxymethoxy)phenyl]pentanoic acid
CID 101226373

Frequently Asked Questions

What is the IUPAC name of ethane;3-phenylpentanoic acid?
The IUPAC name of ethane;3-phenylpentanoic acid (CID 142147200) is ethane;3-phenylpentanoic acid.
What is the SMILES notation for ethane;3-phenylpentanoic acid?
The canonical SMILES for ethane;3-phenylpentanoic acid is CC.CCC(CC(=O)O)c1ccccc1.
What is the InChIKey of ethane;3-phenylpentanoic acid?
The InChIKey is GUZTYSDAAXYNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.C2H6/c1-2-9(8-11(12)13)10-6-4-3-5-7-10;1-2/h3-7,9H,2,8H2,1H3,(H,12,13);1-2H3.
What are the key properties of ethane;3-phenylpentanoic acid?
ethane;3-phenylpentanoic acid has a molecular weight of 208.30 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-phenylpentanoic acid is sourced from PubChem (CID 142147200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).