5-amino-5-oxo-2-(3-pyrazol-1-ylpropylcarbamoylamino)pentanoic acid

C12H19N5O4 — CID 103995727

IUPAC5-amino-5-oxo-2-(3-pyrazol-1-ylpropylcarbamoylamino)pentanoic acid
SMILESNC(=O)CCC(NC(=O)NCCCn1cccn1)C(=O)O
InChIInChI=1S/C12H19N5O4/c13-10(18)4-3-9(11(19)20)16-12(21)14-5-1-7-17-8-2-6-15-17/h2,6,8-9H,1,3-5,7H2,(H2,13,18)(H,19,20)(H2,14,16,21)
InChIKeyRDGWIPPZYOMJPP-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.71
Rot. Bonds9

About 5-amino-5-oxo-2-(3-pyrazol-1-ylpropylcarbamoylamino)pentanoic acid

5-amino-5-oxo-2-(3-pyrazol-1-ylpropylcarbamoylamino)pentanoic acid (PubChem CID 103995727) has the molecular formula C12H19N5O4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-amino-5-oxo-2-(3-pyrazol-1-ylpropylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-2-(3-pyrazol-1-ylpropylcarbamoylamino)pentanoic acid
PubChem CID103995727
Molecular FormulaC12H19N5O4
Molecular Weight297.31 g/mol
Exact Mass297.14
IUPAC Name5-amino-5-oxo-2-(3-pyrazol-1-ylpropylcarbamoylamino)pentanoic acid
SMILESNC(=O)CCC(NC(=O)NCCCn1cccn1)C(=O)O
InChIInChI=1S/C12H19N5O4/c13-10(18)4-3-9(11(19)20)16-12(21)14-5-1-7-17-8-2-6-15-17/h2,6,8-9H,1,3-5,7H2,(H2,13,18)(H,19,20)(H2,14,16,21)
InChIKeyRDGWIPPZYOMJPP-UHFFFAOYSA-N
XLogP-0.71
TPSA139.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-5-oxo-2-(3-pyrazol-1-ylpropylcarbamoylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-hydroxy-2-(3-pyrazol-1-ylpropylcarbamoylamino)butanoic acid
CID 114005816
(2R)-4-amino-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid
CID 107826754
5-amino-2-(butylcarbamoylamino)-5-oxopentanoic acid
CID 43210525
(2S)-5-amino-2-(3-aminopropylcarbamoylamino)-5-oxopentanoic acid
CID 62273655
(2R)-5-amino-2-(hexylcarbamoylamino)-5-oxopentanoic acid
CID 107830921
(2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid
CID 107566288
(2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid
CID 107831034
(2S)-2-[3-(triazol-1-yl)propylcarbamoylamino]hexanoic acid
CID 107146507
5-amino-5-oxo-2-(3-propoxypropylcarbamoylamino)pentanoic acid
CID 82943639
(2R)-5-amino-2-(3-ethoxypropylcarbamoylamino)-5-oxopentanoic acid
CID 114006057
(2R)-5-amino-2-[3-(diethylamino)propylcarbamoylamino]-5-oxopentanoic acid
CID 107830495
5-amino-2-(3-ethylsulfanylpropylcarbamoylamino)-5-oxopentanoic acid
CID 114248323

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-2-(3-pyrazol-1-ylpropylcarbamoylamino)pentanoic acid?
The IUPAC name of 5-amino-5-oxo-2-(3-pyrazol-1-ylpropylcarbamoylamino)pentanoic acid (CID 103995727) is 5-amino-5-oxo-2-(3-pyrazol-1-ylpropylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-2-(3-pyrazol-1-ylpropylcarbamoylamino)pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-2-(3-pyrazol-1-ylpropylcarbamoylamino)pentanoic acid is NC(=O)CCC(NC(=O)NCCCn1cccn1)C(=O)O.
What is the InChIKey of 5-amino-5-oxo-2-(3-pyrazol-1-ylpropylcarbamoylamino)pentanoic acid?
The InChIKey is RDGWIPPZYOMJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O4/c13-10(18)4-3-9(11(19)20)16-12(21)14-5-1-7-17-8-2-6-15-17/h2,6,8-9H,1,3-5,7H2,(H2,13,18)(H,19,20)(H2,14,16,21).
What are the key properties of 5-amino-5-oxo-2-(3-pyrazol-1-ylpropylcarbamoylamino)pentanoic acid?
5-amino-5-oxo-2-(3-pyrazol-1-ylpropylcarbamoylamino)pentanoic acid has a molecular weight of 297.31 g/mol, XLogP of -0.71, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-2-(3-pyrazol-1-ylpropylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 103995727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).