2-(3-methyl-N-propylanilino)acetic acid

C12H17NO2 — CID 83559836

IUPAC2-(3-methyl-N-propylanilino)acetic acid
SMILESCCCN(CC(=O)O)c1cccc(C)c1
InChIInChI=1S/C12H17NO2/c1-3-7-13(9-12(14)15)11-6-4-5-10(2)8-11/h4-6,8H,3,7,9H2,1-2H3,(H,14,15)
InChIKeyHGWBERGZUGFCOR-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.30
Rot. Bonds5

About 2-(3-methyl-N-propylanilino)acetic acid

2-(3-methyl-N-propylanilino)acetic acid (PubChem CID 83559836) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(3-methyl-N-propylanilino)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-N-propylanilino)acetic acid
PubChem CID83559836
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(3-methyl-N-propylanilino)acetic acid
SMILESCCCN(CC(=O)O)c1cccc(C)c1
InChIInChI=1S/C12H17NO2/c1-3-7-13(9-12(14)15)11-6-4-5-10(2)8-11/h4-6,8H,3,7,9H2,1-2H3,(H,14,15)
InChIKeyHGWBERGZUGFCOR-UHFFFAOYSA-N
XLogP2.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methyl-N-propylanilino)propanoic acid
CID 82317776
CID 138691667
CID 138691667
2-(4-methyl-N-propylanilino)acetic acid
CID 19875097
2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid
CID 39368218
2-(N-ethyl-3-methylanilino)-N,N-dipropylacetamide
CID 109006691
3-(N-[2-(diethylamino)-2-oxoethyl]-3-methylanilino)propanoic acid
CID 82316967
2-(3-chloro-4-methyl-N-propylanilino)acetic acid
CID 83561354
2-(3-methyl-4-nitro-N-propylanilino)acetic acid
CID 61009102
1-(N-ethyl-3-methylanilino)pentan-2-one
CID 62044649
2-(4-methyl-N-(3-methylphenyl)anilino)acetic acid
CID 91873233
N,N-dibutyl-3-methylaniline
CID 15332677
3-(3-methyl-N-propanoylanilino)propanoic acid
CID 28764164

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-N-propylanilino)acetic acid?
The IUPAC name of 2-(3-methyl-N-propylanilino)acetic acid (CID 83559836) is 2-(3-methyl-N-propylanilino)acetic acid.
What is the SMILES notation for 2-(3-methyl-N-propylanilino)acetic acid?
The canonical SMILES for 2-(3-methyl-N-propylanilino)acetic acid is CCCN(CC(=O)O)c1cccc(C)c1.
What is the InChIKey of 2-(3-methyl-N-propylanilino)acetic acid?
The InChIKey is HGWBERGZUGFCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-7-13(9-12(14)15)11-6-4-5-10(2)8-11/h4-6,8H,3,7,9H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-methyl-N-propylanilino)acetic acid?
2-(3-methyl-N-propylanilino)acetic acid has a molecular weight of 207.27 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-N-propylanilino)acetic acid is sourced from PubChem (CID 83559836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).