(4S)-4-methyl-5-phenylpentanoic acid

C12H16O2 — CID 6995676

IUPAC(4S)-4-methyl-5-phenylpentanoic acid
SMILESC[C@@H](CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C12H16O2/c1-10(7-8-12(13)14)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyOAAIFCQAOVCUKT-JTQLQIEISA-N
MW192.26 g/mol
LogP2.73
Rot. Bonds5

About (4S)-4-methyl-5-phenylpentanoic acid

(4S)-4-methyl-5-phenylpentanoic acid (PubChem CID 6995676) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (4S)-4-methyl-5-phenylpentanoic acid.

Molecular Properties

Compound Name(4S)-4-methyl-5-phenylpentanoic acid
PubChem CID6995676
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(4S)-4-methyl-5-phenylpentanoic acid
SMILESC[C@@H](CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C12H16O2/c1-10(7-8-12(13)14)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyOAAIFCQAOVCUKT-JTQLQIEISA-N
XLogP2.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid
CID 122045966
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
(5S)-5-methyl-6-phenylhexan-2-one;oxolane
CID 90875451
5-(4-cyclopentylphenyl)-4-methylpentanoic acid
CID 70538154
4-(2-methylbutylamino)-5-phenylpentanoic acid
CID 122045900
fluoro 5-methyl-6-phenylhexanoate
CID 174615572
5-(benzylcarbamoylamino)-4-methylpentanoic acid
CID 82689403
(5R)-5-methyl-N,6-diphenylhexanamide
CID 102237947
4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511992
5-(2-methyl-3-phenylpropyl)octadecanoic acid
CID 70489744
4-methyl-5-(2-prop-1-enylphenyl)pentanoic acid
CID 70297262
4-[(3-methyl-2-propan-2-ylbutyl)amino]-5-phenylpentanoic acid
CID 122045784

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-5-phenylpentanoic acid?
The IUPAC name of (4S)-4-methyl-5-phenylpentanoic acid (CID 6995676) is (4S)-4-methyl-5-phenylpentanoic acid.
What is the SMILES notation for (4S)-4-methyl-5-phenylpentanoic acid?
The canonical SMILES for (4S)-4-methyl-5-phenylpentanoic acid is C[C@@H](CCC(=O)O)Cc1ccccc1.
What is the InChIKey of (4S)-4-methyl-5-phenylpentanoic acid?
The InChIKey is OAAIFCQAOVCUKT-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16O2/c1-10(7-8-12(13)14)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (4S)-4-methyl-5-phenylpentanoic acid?
(4S)-4-methyl-5-phenylpentanoic acid has a molecular weight of 192.26 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-5-phenylpentanoic acid is sourced from PubChem (CID 6995676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).