2-[3-(dimethylamino)anilino]pentanoic acid

C13H20N2O2 — CID 83041129

IUPAC2-[3-(dimethylamino)anilino]pentanoic acid
SMILESCCCC(Nc1cccc(N(C)C)c1)C(=O)O
InChIInChI=1S/C13H20N2O2/c1-4-6-12(13(16)17)14-10-7-5-8-11(9-10)15(2)3/h5,7-9,12,14H,4,6H2,1-3H3,(H,16,17)
InChIKeySKEDDAVPHKAZHP-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.42
Rot. Bonds6

About 2-[3-(dimethylamino)anilino]pentanoic acid

2-[3-(dimethylamino)anilino]pentanoic acid (PubChem CID 83041129) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[3-(dimethylamino)anilino]pentanoic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)anilino]pentanoic acid
PubChem CID83041129
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[3-(dimethylamino)anilino]pentanoic acid
SMILESCCCC(Nc1cccc(N(C)C)c1)C(=O)O
InChIInChI=1S/C13H20N2O2/c1-4-6-12(13(16)17)14-10-7-5-8-11(9-10)15(2)3/h5,7-9,12,14H,4,6H2,1-3H3,(H,16,17)
InChIKeySKEDDAVPHKAZHP-UHFFFAOYSA-N
XLogP2.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-methylanilino)pentanoic acid
CID 40788448
(2S)-2-anilinopentanoic acid
CID 22847649
(2R)-2-(3-chloroanilino)pentanoic acid
CID 40801075
(2S)-2-(naphthalen-2-ylamino)pentanoic acid
CID 174375050
3-N,3-N-dimethyl-1-N-undecan-6-ylbenzene-1,3-diamine
CID 115375894
2-(2,6-dibromoanilino)pentanoic acid
CID 107598874
2-(3-methylanilino)heptanoic acid
CID 54890661
(2S)-2-(3,5-dimethylanilino)pentanoic acid
CID 40788515
(2S)-2-[[3-(dimethylamino)phenyl]carbamoylamino]-4-methylsulfanylbutanoic acid
CID 115378421
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
2-amino-3-[3-(dimethylamino)anilino]propanoic acid
CID 103260466
2-[[3-(dimethylamino)benzoyl]amino]-4-hydroxybutanoic acid
CID 61244556

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)anilino]pentanoic acid?
The IUPAC name of 2-[3-(dimethylamino)anilino]pentanoic acid (CID 83041129) is 2-[3-(dimethylamino)anilino]pentanoic acid.
What is the SMILES notation for 2-[3-(dimethylamino)anilino]pentanoic acid?
The canonical SMILES for 2-[3-(dimethylamino)anilino]pentanoic acid is CCCC(Nc1cccc(N(C)C)c1)C(=O)O.
What is the InChIKey of 2-[3-(dimethylamino)anilino]pentanoic acid?
The InChIKey is SKEDDAVPHKAZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-6-12(13(16)17)14-10-7-5-8-11(9-10)15(2)3/h5,7-9,12,14H,4,6H2,1-3H3,(H,16,17).
What are the key properties of 2-[3-(dimethylamino)anilino]pentanoic acid?
2-[3-(dimethylamino)anilino]pentanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)anilino]pentanoic acid is sourced from PubChem (CID 83041129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).