4-amino-5-[3-(2-methoxyethoxy)anilino]-5-oxopentanoic acid

C14H20N2O5 — CID 64890275

IUPAC4-amino-5-[3-(2-methoxyethoxy)anilino]-5-oxopentanoic acid
SMILESCOCCOc1cccc(NC(=O)C(N)CCC(=O)O)c1
InChIInChI=1S/C14H20N2O5/c1-20-7-8-21-11-4-2-3-10(9-11)16-14(19)12(15)5-6-13(17)18/h2-4,9,12H,5-8,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyUCSJPMIQPXHMIU-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.84
Rot. Bonds9

About 4-amino-5-[3-(2-methoxyethoxy)anilino]-5-oxopentanoic acid

4-amino-5-[3-(2-methoxyethoxy)anilino]-5-oxopentanoic acid (PubChem CID 64890275) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-amino-5-[3-(2-methoxyethoxy)anilino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[3-(2-methoxyethoxy)anilino]-5-oxopentanoic acid
PubChem CID64890275
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name4-amino-5-[3-(2-methoxyethoxy)anilino]-5-oxopentanoic acid
SMILESCOCCOc1cccc(NC(=O)C(N)CCC(=O)O)c1
InChIInChI=1S/C14H20N2O5/c1-20-7-8-21-11-4-2-3-10(9-11)16-14(19)12(15)5-6-13(17)18/h2-4,9,12H,5-8,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyUCSJPMIQPXHMIU-UHFFFAOYSA-N
XLogP0.84
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide
CID 81082999
(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride
CID 119289412
4-[3-(2-methoxyethoxy)anilino]-4-oxobutanoic acid
CID 17169763
2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 81071451
3-amino-4-oxo-4-(3-propoxyanilino)butanoic acid
CID 64894519
2-amino-4-methoxy-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 62473347
4-amino-5-(3-bromoanilino)-5-oxopentanoic acid
CID 64895596
3-amino-4-[3-[2-(dimethylamino)ethoxy]anilino]-4-oxobutanoic acid
CID 64897056
3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 54862322
2-[3-[[(2S)-2-aminobutanoyl]amino]phenoxy]acetic acid
CID 79023142
3-amino-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
CID 119949876
4-amino-5-(3-methylsulfonylanilino)-5-oxopentanoic acid
CID 64888717

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[3-(2-methoxyethoxy)anilino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[3-(2-methoxyethoxy)anilino]-5-oxopentanoic acid (CID 64890275) is 4-amino-5-[3-(2-methoxyethoxy)anilino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[3-(2-methoxyethoxy)anilino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[3-(2-methoxyethoxy)anilino]-5-oxopentanoic acid is COCCOc1cccc(NC(=O)C(N)CCC(=O)O)c1.
What is the InChIKey of 4-amino-5-[3-(2-methoxyethoxy)anilino]-5-oxopentanoic acid?
The InChIKey is UCSJPMIQPXHMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-20-7-8-21-11-4-2-3-10(9-11)16-14(19)12(15)5-6-13(17)18/h2-4,9,12H,5-8,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-5-[3-(2-methoxyethoxy)anilino]-5-oxopentanoic acid?
4-amino-5-[3-(2-methoxyethoxy)anilino]-5-oxopentanoic acid has a molecular weight of 296.32 g/mol, XLogP of 0.84, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[3-(2-methoxyethoxy)anilino]-5-oxopentanoic acid is sourced from PubChem (CID 64890275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).