(2S)-2-anilinopentanoic acid

C11H15NO2 — CID 22847649

IUPAC(2S)-2-anilinopentanoic acid
SMILESCCC[C@H](Nc1ccccc1)C(=O)O
InChIInChI=1S/C11H15NO2/c1-2-6-10(11(13)14)12-9-7-4-3-5-8-9/h3-5,7-8,10,12H,2,6H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyUTZOCZZGSVUPBG-JTQLQIEISA-N
MW193.25 g/mol
LogP2.35
Rot. Bonds5

About (2S)-2-anilinopentanoic acid

(2S)-2-anilinopentanoic acid (PubChem CID 22847649) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2S)-2-anilinopentanoic acid.

Molecular Properties

Compound Name(2S)-2-anilinopentanoic acid
PubChem CID22847649
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2S)-2-anilinopentanoic acid
SMILESCCC[C@H](Nc1ccccc1)C(=O)O
InChIInChI=1S/C11H15NO2/c1-2-6-10(11(13)14)12-9-7-4-3-5-8-9/h3-5,7-8,10,12H,2,6H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyUTZOCZZGSVUPBG-JTQLQIEISA-N
XLogP2.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylanilino)pentanoic acid
CID 83038138
methyl 2-anilinopentanoate
CID 60992581
(2S)-2-(4-bromoanilino)pentanoic acid
CID 40788491
(2S)-2-(3-methylanilino)pentanoic acid
CID 40788448
(2S)-2-(naphthalen-2-ylamino)pentanoic acid
CID 174375050
(2R)-2-(3-chloroanilino)pentanoic acid
CID 40801075
(2R)-2-(4-methoxyanilino)pentanoic acid
CID 11085419
2-[3-(dimethylamino)anilino]pentanoic acid
CID 83041129
(2S)-2-(3,5-dimethylanilino)pentanoic acid
CID 40788515
(2S)-5-amino-2-anilino-5-oxopentanoic acid
CID 54197392
(2R)-2-anilino-3-hydroxypropanoic acid
CID 68662369
2-(2-phenylanilino)pentanoic acid
CID 83037413

Frequently Asked Questions

What is the IUPAC name of (2S)-2-anilinopentanoic acid?
The IUPAC name of (2S)-2-anilinopentanoic acid (CID 22847649) is (2S)-2-anilinopentanoic acid.
What is the SMILES notation for (2S)-2-anilinopentanoic acid?
The canonical SMILES for (2S)-2-anilinopentanoic acid is CCC[C@H](Nc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-anilinopentanoic acid?
The InChIKey is UTZOCZZGSVUPBG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-6-10(11(13)14)12-9-7-4-3-5-8-9/h3-5,7-8,10,12H,2,6H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-anilinopentanoic acid?
(2S)-2-anilinopentanoic acid has a molecular weight of 193.25 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-anilinopentanoic acid is sourced from PubChem (CID 22847649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).