5-[[3-(methoxymethyl)phenyl]methylamino]-5-oxopentanoic acid

C14H19NO4 — CID 54896405

IUPAC5-[[3-(methoxymethyl)phenyl]methylamino]-5-oxopentanoic acid
SMILESCOCc1cccc(CNC(=O)CCCC(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-19-10-12-5-2-4-11(8-12)9-15-13(16)6-3-7-14(17)18/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyLHGMUXJAOZQQCC-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.70
Rot. Bonds8

About 5-[[3-(methoxymethyl)phenyl]methylamino]-5-oxopentanoic acid

5-[[3-(methoxymethyl)phenyl]methylamino]-5-oxopentanoic acid (PubChem CID 54896405) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[[3-(methoxymethyl)phenyl]methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[3-(methoxymethyl)phenyl]methylamino]-5-oxopentanoic acid
PubChem CID54896405
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name5-[[3-(methoxymethyl)phenyl]methylamino]-5-oxopentanoic acid
SMILESCOCc1cccc(CNC(=O)CCCC(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-19-10-12-5-2-4-11(8-12)9-15-13(16)6-3-7-14(17)18/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyLHGMUXJAOZQQCC-UHFFFAOYSA-N
XLogP1.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 54896358
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
N-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide
CID 46487585
6-[(3-hydroxyphenyl)methylamino]-6-oxohexanoic acid
CID 110483460
5-amino-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide
CID 82012253
6-[(3-ethoxyphenyl)methylamino]-6-oxohexanoic acid
CID 60872975
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
2-(2-methoxyethylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 79282648
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 54896557
2-[benzyl(ethyl)amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 87012687
6-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]hexanoic acid
CID 43529482

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(methoxymethyl)phenyl]methylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[[3-(methoxymethyl)phenyl]methylamino]-5-oxopentanoic acid (CID 54896405) is 5-[[3-(methoxymethyl)phenyl]methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[3-(methoxymethyl)phenyl]methylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[3-(methoxymethyl)phenyl]methylamino]-5-oxopentanoic acid is COCc1cccc(CNC(=O)CCCC(=O)O)c1.
What is the InChIKey of 5-[[3-(methoxymethyl)phenyl]methylamino]-5-oxopentanoic acid?
The InChIKey is LHGMUXJAOZQQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-19-10-12-5-2-4-11(8-12)9-15-13(16)6-3-7-14(17)18/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[[3-(methoxymethyl)phenyl]methylamino]-5-oxopentanoic acid?
5-[[3-(methoxymethyl)phenyl]methylamino]-5-oxopentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(methoxymethyl)phenyl]methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 54896405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).