2-[N-(4-methylpentyl)anilino]acetic acid

C14H21NO2 — CID 83158703

IUPAC2-[N-(4-methylpentyl)anilino]acetic acid
SMILESCC(C)CCCN(CC(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-12(2)7-6-10-15(11-14(16)17)13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,16,17)
InChIKeyMTVWXYCSGVXPLB-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.01
Rot. Bonds7

About 2-[N-(4-methylpentyl)anilino]acetic acid

2-[N-(4-methylpentyl)anilino]acetic acid (PubChem CID 83158703) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[N-(4-methylpentyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[N-(4-methylpentyl)anilino]acetic acid
PubChem CID83158703
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[N-(4-methylpentyl)anilino]acetic acid
SMILESCC(C)CCCN(CC(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-12(2)7-6-10-15(11-14(16)17)13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,16,17)
InChIKeyMTVWXYCSGVXPLB-UHFFFAOYSA-N
XLogP3.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine
CID 83157179
2-[N-(4-cyanobutyl)anilino]acetic acid
CID 54925845
2-[N-(4-phenylbutyl)anilino]acetic acid
CID 114334085
2-[N-(2-fluoroethyl)anilino]acetic acid
CID 80695763
2-[N-(2-sulfamoylethyl)anilino]acetic acid
CID 114385326
2-(N-(3-hydroxy-3-methylbutyl)anilino)acetic acid
CID 79354763
4-[N-(2-methylpentyl)anilino]butanoic acid
CID 62265556
2-(N-(3-methoxy-3-oxopropyl)anilino)acetic acid
CID 71150881
2-[N-(3,3,3-trifluoropropyl)anilino]acetic acid
CID 64566938
2-[2-hydroxy-N-(2-methylpropyl)anilino]acetic acid
CID 138423714
3,3,3-trifluoro-N-(4-methylpentyl)-N-phenyl-2-(trifluoromethyl)propanamide
CID 54008226
3-(N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)propanoic acid
CID 60839757

Frequently Asked Questions

What is the IUPAC name of 2-[N-(4-methylpentyl)anilino]acetic acid?
The IUPAC name of 2-[N-(4-methylpentyl)anilino]acetic acid (CID 83158703) is 2-[N-(4-methylpentyl)anilino]acetic acid.
What is the SMILES notation for 2-[N-(4-methylpentyl)anilino]acetic acid?
The canonical SMILES for 2-[N-(4-methylpentyl)anilino]acetic acid is CC(C)CCCN(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[N-(4-methylpentyl)anilino]acetic acid?
The InChIKey is MTVWXYCSGVXPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12(2)7-6-10-15(11-14(16)17)13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,16,17).
What are the key properties of 2-[N-(4-methylpentyl)anilino]acetic acid?
2-[N-(4-methylpentyl)anilino]acetic acid has a molecular weight of 235.33 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(4-methylpentyl)anilino]acetic acid is sourced from PubChem (CID 83158703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).