2-[2-(methoxymethyl)anilino]pentanoic acid

C13H19NO3 — CID 83041000

IUPAC2-[2-(methoxymethyl)anilino]pentanoic acid
SMILESCCCC(Nc1ccccc1COC)C(=O)O
InChIInChI=1S/C13H19NO3/c1-3-6-12(13(15)16)14-11-8-5-4-7-10(11)9-17-2/h4-5,7-8,12,14H,3,6,9H2,1-2H3,(H,15,16)
InChIKeyPRCVOEPBCYMMMD-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.50
Rot. Bonds7

About 2-[2-(methoxymethyl)anilino]pentanoic acid

2-[2-(methoxymethyl)anilino]pentanoic acid (PubChem CID 83041000) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)anilino]pentanoic acid.

Molecular Properties

Compound Name2-[2-(methoxymethyl)anilino]pentanoic acid
PubChem CID83041000
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[2-(methoxymethyl)anilino]pentanoic acid
SMILESCCCC(Nc1ccccc1COC)C(=O)O
InChIInChI=1S/C13H19NO3/c1-3-6-12(13(15)16)14-11-8-5-4-7-10(11)9-17-2/h4-5,7-8,12,14H,3,6,9H2,1-2H3,(H,15,16)
InChIKeyPRCVOEPBCYMMMD-UHFFFAOYSA-N
XLogP2.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic acid
CID 107566509
(2S)-2-(2-methoxyanilino)pentanoic acid
CID 40788460
(2S)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid
CID 107145726
2-(2-phenylanilino)pentanoic acid
CID 83037413
2-amino-N-[2-(methoxymethyl)phenyl]pentanamide
CID 43701011
3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid
CID 103268791
(2S)-2-anilinopentanoic acid
CID 22847649
2-[2-[(dimethylamino)methyl]anilino]butanoic acid
CID 115353025
2-[2-(4-aminophenyl)anilino]pentanoic acid
CID 22051506
2-(2-methylsulfanylanilino)hexanoic acid
CID 107645239
2-[(2-propan-2-yloxy-3-pyridinyl)amino]pentanoic acid
CID 83041938
5-[1-[2-(methoxymethyl)anilino]ethyl]furan-2-carboxylic acid
CID 103247181

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)anilino]pentanoic acid?
The IUPAC name of 2-[2-(methoxymethyl)anilino]pentanoic acid (CID 83041000) is 2-[2-(methoxymethyl)anilino]pentanoic acid.
What is the SMILES notation for 2-[2-(methoxymethyl)anilino]pentanoic acid?
The canonical SMILES for 2-[2-(methoxymethyl)anilino]pentanoic acid is CCCC(Nc1ccccc1COC)C(=O)O.
What is the InChIKey of 2-[2-(methoxymethyl)anilino]pentanoic acid?
The InChIKey is PRCVOEPBCYMMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-6-12(13(15)16)14-11-8-5-4-7-10(11)9-17-2/h4-5,7-8,12,14H,3,6,9H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-(methoxymethyl)anilino]pentanoic acid?
2-[2-(methoxymethyl)anilino]pentanoic acid has a molecular weight of 237.30 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)anilino]pentanoic acid is sourced from PubChem (CID 83041000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).