4-[(3-amino-3-oxopropyl)carbamoyl]benzoic acid

C11H12N2O4 — CID 43553914

IUPAC4-[(3-amino-3-oxopropyl)carbamoyl]benzoic acid
SMILESNC(=O)CCNC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H12N2O4/c12-9(14)5-6-13-10(15)7-1-3-8(4-2-7)11(16)17/h1-4H,5-6H2,(H2,12,14)(H,13,15)(H,16,17)
InChIKeyQLNKEOIBAKJISB-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.01
Rot. Bonds5

About 4-[(3-amino-3-oxopropyl)carbamoyl]benzoic acid

4-[(3-amino-3-oxopropyl)carbamoyl]benzoic acid (PubChem CID 43553914) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-[(3-amino-3-oxopropyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(3-amino-3-oxopropyl)carbamoyl]benzoic acid
PubChem CID43553914
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name4-[(3-amino-3-oxopropyl)carbamoyl]benzoic acid
SMILESNC(=O)CCNC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H12N2O4/c12-9(14)5-6-13-10(15)7-1-3-8(4-2-7)11(16)17/h1-4H,5-6H2,(H2,12,14)(H,13,15)(H,16,17)
InChIKeyQLNKEOIBAKJISB-UHFFFAOYSA-N
XLogP-0.01
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-oxopropyl)-4-(2-phenylethynyl)benzamide
CID 171539123
4-(3-carboxypropylcarbamoyl)benzoic acid
CID 119112063
N-(3-amino-3-oxopropyl)-4-methanehydrazonoylbenzamide
CID 173318482
N-(4-amino-4-oxobutyl)-4-carbamothioylbenzamide
CID 60863237
4-amino-N-(3-amino-3-oxopropyl)-3-hydroxybenzamide
CID 107074095
4-(3,3-dimethylbutylcarbamoyl)benzoic acid
CID 113227854
4-[[(E)-pent-3-enyl]carbamoyl]benzoic acid
CID 115910429
N-(4-amino-4-oxobutyl)-4-hydrazinylbenzamide
CID 62237082
N-(3-amino-3-oxopropyl)-4-(4-hydroxybut-1-ynyl)benzamide
CID 60815623
N-(3-amino-3-oxopropyl)-6-bromopyridine-3-carboxamide
CID 66463277
4-[9-[(4-carbamimidoylbenzoyl)amino]nonylcarbamoyl]benzoic acid
CID 11465154
N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide
CID 91636090

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-3-oxopropyl)carbamoyl]benzoic acid?
The IUPAC name of 4-[(3-amino-3-oxopropyl)carbamoyl]benzoic acid (CID 43553914) is 4-[(3-amino-3-oxopropyl)carbamoyl]benzoic acid.
What is the SMILES notation for 4-[(3-amino-3-oxopropyl)carbamoyl]benzoic acid?
The canonical SMILES for 4-[(3-amino-3-oxopropyl)carbamoyl]benzoic acid is NC(=O)CCNC(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(3-amino-3-oxopropyl)carbamoyl]benzoic acid?
The InChIKey is QLNKEOIBAKJISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c12-9(14)5-6-13-10(15)7-1-3-8(4-2-7)11(16)17/h1-4H,5-6H2,(H2,12,14)(H,13,15)(H,16,17).
What are the key properties of 4-[(3-amino-3-oxopropyl)carbamoyl]benzoic acid?
4-[(3-amino-3-oxopropyl)carbamoyl]benzoic acid has a molecular weight of 236.23 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-3-oxopropyl)carbamoyl]benzoic acid is sourced from PubChem (CID 43553914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).