4-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]benzoic acid

C15H20N2O4 — CID 119165562

IUPAC4-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]benzoic acid
SMILESCCNC(=O)CCCC(=O)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H20N2O4/c1-2-16-13(18)4-3-5-14(19)17-10-11-6-8-12(9-7-11)15(20)21/h6-9H,2-5,10H2,1H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyKEESNZNQNUJUHN-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.31
Rot. Bonds8

About 4-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]benzoic acid

4-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]benzoic acid (PubChem CID 119165562) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]benzoic acid
PubChem CID119165562
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name4-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]benzoic acid
SMILESCCNC(=O)CCCC(=O)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H20N2O4/c1-2-16-13(18)4-3-5-14(19)17-10-11-6-8-12(9-7-11)15(20)21/h6-9H,2-5,10H2,1H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyKEESNZNQNUJUHN-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 83796764
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CID 119165577
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CID 119353286
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
4-[[(2-aminoacetyl)amino]methyl]benzoic acid
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4-[2-(butanoylamino)ethyl]benzoic acid
CID 43665716
18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide
CID 101321590
4-[[4-(4-methylsulfonylphenoxy)butanoylamino]methyl]benzoic acid
CID 119165399
4-[[[(3Z)-4-carboxybuta-1,3-dien-2-yl]amino]methyl]benzoic acid
CID 89222473
4-[(3,4-dimethylpentanoylamino)methyl]benzoic acid
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4-[3-(ethylamino)-3-oxopropoxy]benzoic acid
CID 62325269

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]benzoic acid (CID 119165562) is 4-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]benzoic acid is CCNC(=O)CCCC(=O)NCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]benzoic acid?
The InChIKey is KEESNZNQNUJUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-16-13(18)4-3-5-14(19)17-10-11-6-8-12(9-7-11)15(20)21/h6-9H,2-5,10H2,1H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 4-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]benzoic acid?
4-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]benzoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.31, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]benzoic acid is sourced from PubChem (CID 119165562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).