2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]acetic acid

C15H20N2O4 — CID 119351665

IUPAC2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]acetic acid
SMILESCCNC(=O)CCCC(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-2-16-13(18)7-4-8-14(19)17-12-6-3-5-11(9-12)10-15(20)21/h3,5-6,9H,2,4,7-8,10H2,1H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyFYKHMOSOQSGZTD-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.56
Rot. Bonds8

About 2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]acetic acid

2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]acetic acid (PubChem CID 119351665) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]acetic acid
PubChem CID119351665
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]acetic acid
SMILESCCNC(=O)CCCC(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-2-16-13(18)7-4-8-14(19)17-12-6-3-5-11(9-12)10-15(20)21/h3,5-6,9H,2,4,7-8,10H2,1H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyFYKHMOSOQSGZTD-UHFFFAOYSA-N
XLogP1.56
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(hexanoylamino)phenyl]acetic acid
CID 65345952
2-[3-[[4-(2-acetamidoethylamino)-4-oxobutanoyl]amino]phenyl]acetic acid
CID 119352064
2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]ethyl acetate
CID 75450680
2-[3-(3-phenylpropanoylamino)phenyl]acetic acid
CID 28759486
2-[3-(docosa-4,7,10,13,16,19-hexaenoylamino)phenyl]acetic acid
CID 66690979
2-[3-(4-propan-2-yloxybutanoylamino)phenyl]acetic acid
CID 120688421
2-[3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl]acetic acid
CID 119351782
3-[3-(pentanoylamino)phenyl]propanoic acid
CID 28759634
2-[3-[(6-amino-4-methylhexanoyl)amino]phenyl]acetic acid
CID 65350517
2-[3-[(6-amino-4,4-dimethylhexanoyl)amino]phenyl]acetic acid
CID 65349861
N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide
CID 101187552
2-[3-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]phenyl]acetic acid
CID 119351570

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]acetic acid (CID 119351665) is 2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]acetic acid is CCNC(=O)CCCC(=O)Nc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]acetic acid?
The InChIKey is FYKHMOSOQSGZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-16-13(18)7-4-8-14(19)17-12-6-3-5-11(9-12)10-15(20)21/h3,5-6,9H,2,4,7-8,10H2,1H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]acetic acid?
2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]acetic acid has a molecular weight of 292.34 g/mol, XLogP of 1.56, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 119351665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).