2-[2-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]ethyl]benzoic acid

C15H20N2O4 — CID 115923717

IUPAC2-[2-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]ethyl]benzoic acid
SMILESCC(C)NC(=O)CCNC(=O)Cc1ccccc1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-10(2)17-13(18)7-8-16-14(19)9-11-5-3-4-6-12(11)15(20)21/h3-6,10H,7-9H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyHWFXLFZQHVMEQS-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.96
Rot. Bonds7

About 2-[2-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]ethyl]benzoic acid

2-[2-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]ethyl]benzoic acid (PubChem CID 115923717) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[2-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]ethyl]benzoic acid
PubChem CID115923717
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[2-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]ethyl]benzoic acid
SMILESCC(C)NC(=O)CCNC(=O)Cc1ccccc1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-10(2)17-13(18)7-8-16-14(19)9-11-5-3-4-6-12(11)15(20)21/h3-6,10H,7-9H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyHWFXLFZQHVMEQS-UHFFFAOYSA-N
XLogP0.96
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-acetamidoethylamino)-2-oxoethyl]benzoic acid
CID 112568591
2-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47165784
2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzoic acid
CID 104601328
3-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]benzoic acid
CID 115596261
2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]benzoic acid
CID 43567862
2-[2-(octylamino)-2-oxoethyl]benzoic acid
CID 104601721
2-[2-(2-methylsulfanylpropylamino)-2-oxoethyl]benzoic acid
CID 113466336
3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide
CID 112701585
2-[2-[2-(dimethylamino)propylamino]-2-oxoethyl]benzoic acid
CID 113431503
2-[2-(3-methylsulfanylpropylamino)-2-oxoethyl]benzoic acid
CID 113354272
2-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzoic acid
CID 113431488
2-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]benzoic acid
CID 115923776

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]ethyl]benzoic acid?
The IUPAC name of 2-[2-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]ethyl]benzoic acid (CID 115923717) is 2-[2-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]ethyl]benzoic acid.
What is the SMILES notation for 2-[2-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]ethyl]benzoic acid?
The canonical SMILES for 2-[2-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]ethyl]benzoic acid is CC(C)NC(=O)CCNC(=O)Cc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]ethyl]benzoic acid?
The InChIKey is HWFXLFZQHVMEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(2)17-13(18)7-8-16-14(19)9-11-5-3-4-6-12(11)15(20)21/h3-6,10H,7-9H2,1-2H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 2-[2-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]ethyl]benzoic acid?
2-[2-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]ethyl]benzoic acid has a molecular weight of 292.33 g/mol, XLogP of 0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]ethyl]benzoic acid is sourced from PubChem (CID 115923717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).