3-[[1-(4-methanehydrazonoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid

C15H19N5O4 — CID 70083296

IUPAC3-[[1-(4-methanehydrazonoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid
SMILESNN=Cc1ccc(N2CCC(NC(=O)NCCC(=O)O)C2=O)cc1
InChIInChI=1S/C15H19N5O4/c16-18-9-10-1-3-11(4-2-10)20-8-6-12(14(20)23)19-15(24)17-7-5-13(21)22/h1-4,9,12H,5-8,16H2,(H,21,22)(H2,17,19,24)
InChIKeyIRJCUGKXTJOKJJ-UHFFFAOYSA-N
MW333.35 g/mol
LogP-0.14
Rot. Bonds6

About 3-[[1-(4-methanehydrazonoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid

3-[[1-(4-methanehydrazonoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid (PubChem CID 70083296) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-[[1-(4-methanehydrazonoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(4-methanehydrazonoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid
PubChem CID70083296
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC Name3-[[1-(4-methanehydrazonoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid
SMILESNN=Cc1ccc(N2CCC(NC(=O)NCCC(=O)O)C2=O)cc1
InChIInChI=1S/C15H19N5O4/c16-18-9-10-1-3-11(4-2-10)20-8-6-12(14(20)23)19-15(24)17-7-5-13(21)22/h1-4,9,12H,5-8,16H2,(H,21,22)(H2,17,19,24)
InChIKeyIRJCUGKXTJOKJJ-UHFFFAOYSA-N
XLogP-0.14
TPSA137.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[[1-(4-methanehydrazonoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 70083317
3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid
CID 122002288
4-[(2-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 122001533
ethyl 3-[3-[[(3S)-1-(4-methanehydrazonoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]phenyl]propanoate
CID 70086766
ethyl 3-[[(3S)-1-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 10948832
3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid
CID 122006219
ethyl 3-[[(3S)-1-[4-[(ethoxycarbonyloxydiazenyl)methyl]phenyl]-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 57319578
3-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106258155
methyl 3-[[(3S)-1-[4-(N'-methoxycarbonylcarbamimidoyl)phenyl]-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 57203886
ethyl 3-[[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 19609133
methyl 3-[[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 54526275
propan-2-yl 3-[[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 19358189

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methanehydrazonoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid?
The IUPAC name of 3-[[1-(4-methanehydrazonoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid (CID 70083296) is 3-[[1-(4-methanehydrazonoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[[1-(4-methanehydrazonoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid?
The canonical SMILES for 3-[[1-(4-methanehydrazonoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid is NN=Cc1ccc(N2CCC(NC(=O)NCCC(=O)O)C2=O)cc1.
What is the InChIKey of 3-[[1-(4-methanehydrazonoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid?
The InChIKey is IRJCUGKXTJOKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4/c16-18-9-10-1-3-11(4-2-10)20-8-6-12(14(20)23)19-15(24)17-7-5-13(21)22/h1-4,9,12H,5-8,16H2,(H,21,22)(H2,17,19,24).
What are the key properties of 3-[[1-(4-methanehydrazonoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid?
3-[[1-(4-methanehydrazonoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid has a molecular weight of 333.35 g/mol, XLogP of -0.14, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methanehydrazonoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid is sourced from PubChem (CID 70083296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).