2-(3-oxo-1-propylpiperazin-2-yl)acetic acid

C9H16N2O3 — CID 53408734

IUPAC2-(3-oxo-1-propylpiperazin-2-yl)acetic acid
SMILESCCCN1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C9H16N2O3/c1-2-4-11-5-3-10-9(14)7(11)6-8(12)13/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyUHIUOVAGCSAWNW-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.33
Rot. Bonds4

About 2-(3-oxo-1-propylpiperazin-2-yl)acetic acid

2-(3-oxo-1-propylpiperazin-2-yl)acetic acid (PubChem CID 53408734) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(3-oxo-1-propylpiperazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-oxo-1-propylpiperazin-2-yl)acetic acid
PubChem CID53408734
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-(3-oxo-1-propylpiperazin-2-yl)acetic acid
SMILESCCCN1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C9H16N2O3/c1-2-4-11-5-3-10-9(14)7(11)6-8(12)13/h7H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyUHIUOVAGCSAWNW-UHFFFAOYSA-N
XLogP-0.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-oxo-1-propylpiperazin-2-yl)acetic 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

Methyl 2-(3-oxopiperazin-2-yl)acetate
CID 2998378
Ethyl 2-(3-oxopiperazin-2-yl)acetate
CID 544550
Aspartylalanine
CID 5491963
2-(1-Methyl-3-oxopiperazin-2-yl)acetic acid
CID 653824
Aspartyl-alanyl-diketopiperazine
CID 9815453
Ala-Asp-Gly
CID 13891595
Asp-Val
CID 7009616
4-(2,2-Dimethyl-3-oxo-piperazin-1-yl)-4-oxo-butyric acid
CID 1089068
Methyl {1-[(ethylamino)carbonyl]-3-oxopiperazin-2-yl}acetate
CID 2954797
H-Asp-Ala-Asp-Asp-OH
CID 10094442
Asp-Ala-Asp
CID 44271740
2-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]acetic acid
CID 57345543

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1-propylpiperazin-2-yl)acetic acid?
The IUPAC name of 2-(3-oxo-1-propylpiperazin-2-yl)acetic acid (CID 53408734) is 2-(3-oxo-1-propylpiperazin-2-yl)acetic acid.
What is the SMILES notation for 2-(3-oxo-1-propylpiperazin-2-yl)acetic acid?
The canonical SMILES for 2-(3-oxo-1-propylpiperazin-2-yl)acetic acid is CCCN1CCNC(=O)C1CC(=O)O.
What is the InChIKey of 2-(3-oxo-1-propylpiperazin-2-yl)acetic acid?
The InChIKey is UHIUOVAGCSAWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-4-11-5-3-10-9(14)7(11)6-8(12)13/h7H,2-6H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 2-(3-oxo-1-propylpiperazin-2-yl)acetic acid?
2-(3-oxo-1-propylpiperazin-2-yl)acetic acid has a molecular weight of 200.24 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1-propylpiperazin-2-yl)acetic acid is sourced from PubChem (CID 53408734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).