2-[2-[2-(cyclopropanecarbonylamino)ethylamino]-2-oxoethyl]benzoic acid

C15H18N2O4 — CID 115923610

IUPAC2-[2-[2-(cyclopropanecarbonylamino)ethylamino]-2-oxoethyl]benzoic acid
SMILESO=C(Cc1ccccc1C(=O)O)NCCNC(=O)C1CC1
InChIInChI=1S/C15H18N2O4/c18-13(16-7-8-17-14(19)10-5-6-10)9-11-3-1-2-4-12(11)15(20)21/h1-4,10H,5-9H2,(H,16,18)(H,17,19)(H,20,21)
InChIKeyNBGZTDSTVHHMRX-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.57
Rot. Bonds7

About 2-[2-[2-(cyclopropanecarbonylamino)ethylamino]-2-oxoethyl]benzoic acid

2-[2-[2-(cyclopropanecarbonylamino)ethylamino]-2-oxoethyl]benzoic acid (PubChem CID 115923610) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[2-[2-(cyclopropanecarbonylamino)ethylamino]-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[2-(cyclopropanecarbonylamino)ethylamino]-2-oxoethyl]benzoic acid
PubChem CID115923610
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[2-[2-(cyclopropanecarbonylamino)ethylamino]-2-oxoethyl]benzoic acid
SMILESO=C(Cc1ccccc1C(=O)O)NCCNC(=O)C1CC1
InChIInChI=1S/C15H18N2O4/c18-13(16-7-8-17-14(19)10-5-6-10)9-11-3-1-2-4-12(11)15(20)21/h1-4,10H,5-9H2,(H,16,18)(H,17,19)(H,20,21)
InChIKeyNBGZTDSTVHHMRX-UHFFFAOYSA-N
XLogP0.57
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-acetamidoethylamino)-2-oxoethyl]benzoic acid
CID 112568591
2-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]benzoic acid
CID 115923776
2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 115747449
N-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide
CID 51165684
N-[2-(3,3-diphenylpropanoylamino)ethyl]cyclopropanecarboxamide
CID 51153212
2-[2-(4-aminobutylamino)-2-oxoethyl]benzoic acid
CID 113431497
N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 113218812
2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzoic acid
CID 104601328
2-[2-(octylamino)-2-oxoethyl]benzoic acid
CID 104601721
2-[2-[(1-cyclopropylcyclopropyl)methylamino]-2-oxoethyl]benzoic acid
CID 103932730
2-[2-oxo-2-(4,4,4-trifluorobutylamino)ethyl]benzoic acid
CID 104601719
2-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzoic acid
CID 113431488

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(cyclopropanecarbonylamino)ethylamino]-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-[2-(cyclopropanecarbonylamino)ethylamino]-2-oxoethyl]benzoic acid (CID 115923610) is 2-[2-[2-(cyclopropanecarbonylamino)ethylamino]-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-[2-(cyclopropanecarbonylamino)ethylamino]-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-[2-(cyclopropanecarbonylamino)ethylamino]-2-oxoethyl]benzoic acid is O=C(Cc1ccccc1C(=O)O)NCCNC(=O)C1CC1.
What is the InChIKey of 2-[2-[2-(cyclopropanecarbonylamino)ethylamino]-2-oxoethyl]benzoic acid?
The InChIKey is NBGZTDSTVHHMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-13(16-7-8-17-14(19)10-5-6-10)9-11-3-1-2-4-12(11)15(20)21/h1-4,10H,5-9H2,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 2-[2-[2-(cyclopropanecarbonylamino)ethylamino]-2-oxoethyl]benzoic acid?
2-[2-[2-(cyclopropanecarbonylamino)ethylamino]-2-oxoethyl]benzoic acid has a molecular weight of 290.32 g/mol, XLogP of 0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(cyclopropanecarbonylamino)ethylamino]-2-oxoethyl]benzoic acid is sourced from PubChem (CID 115923610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).