2-[3-oxo-1-[2-(prop-2-enylamino)acetyl]piperazin-2-yl]acetic acid

C11H17N3O4 — CID 79278410

IUPAC2-[3-oxo-1-[2-(prop-2-enylamino)acetyl]piperazin-2-yl]acetic acid
SMILESC=CCNCC(=O)N1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C11H17N3O4/c1-2-3-12-7-9(15)14-5-4-13-11(18)8(14)6-10(16)17/h2,8,12H,1,3-7H2,(H,13,18)(H,16,17)
InChIKeyUKVCXXVAZJXUJL-UHFFFAOYSA-N
MW255.27 g/mol
LogP-1.44
Rot. Bonds6

About 2-[3-oxo-1-[2-(prop-2-enylamino)acetyl]piperazin-2-yl]acetic acid

2-[3-oxo-1-[2-(prop-2-enylamino)acetyl]piperazin-2-yl]acetic acid (PubChem CID 79278410) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[3-oxo-1-[2-(prop-2-enylamino)acetyl]piperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-oxo-1-[2-(prop-2-enylamino)acetyl]piperazin-2-yl]acetic acid
PubChem CID79278410
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-[3-oxo-1-[2-(prop-2-enylamino)acetyl]piperazin-2-yl]acetic acid
SMILESC=CCNCC(=O)N1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C11H17N3O4/c1-2-3-12-7-9(15)14-5-4-13-11(18)8(14)6-10(16)17/h2,8,12H,1,3-7H2,(H,13,18)(H,16,17)
InChIKeyUKVCXXVAZJXUJL-UHFFFAOYSA-N
XLogP-1.44
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-oxo-1-[2-(prop-2-enylamino)acetyl]piperazin-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

2-[1-(2-chloroprop-2-enylcarbamoyl)-3-oxopiperazin-2-yl]acetic acid
CID 113464816
2-[1-(1-aminocyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 65458641
2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid
CID 62032428
2-[1-[2-(2-aminoethoxy)acetyl]-3-oxopiperazin-2-yl]acetic acid
CID 79478909
2-[1-[2-(carbamoylamino)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid
CID 83114279
2-[1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62033494
2-[1-(5-aminohexanoyl)-3-oxopiperazin-2-yl]acetic acid
CID 82851582
2-[1-[2-(1-methoxycyclobutyl)acetyl]-3-oxopiperazin-2-yl]acetic acid
CID 103555657
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid
CID 2756051
2-[1-(furan-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 62034409
2-[1-(4-chloro-3-fluorobenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 106703194
2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62032410

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-1-[2-(prop-2-enylamino)acetyl]piperazin-2-yl]acetic acid?
The IUPAC name of 2-[3-oxo-1-[2-(prop-2-enylamino)acetyl]piperazin-2-yl]acetic acid (CID 79278410) is 2-[3-oxo-1-[2-(prop-2-enylamino)acetyl]piperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[3-oxo-1-[2-(prop-2-enylamino)acetyl]piperazin-2-yl]acetic acid?
The canonical SMILES for 2-[3-oxo-1-[2-(prop-2-enylamino)acetyl]piperazin-2-yl]acetic acid is C=CCNCC(=O)N1CCNC(=O)C1CC(=O)O.
What is the InChIKey of 2-[3-oxo-1-[2-(prop-2-enylamino)acetyl]piperazin-2-yl]acetic acid?
The InChIKey is UKVCXXVAZJXUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-2-3-12-7-9(15)14-5-4-13-11(18)8(14)6-10(16)17/h2,8,12H,1,3-7H2,(H,13,18)(H,16,17).
What are the key properties of 2-[3-oxo-1-[2-(prop-2-enylamino)acetyl]piperazin-2-yl]acetic acid?
2-[3-oxo-1-[2-(prop-2-enylamino)acetyl]piperazin-2-yl]acetic acid has a molecular weight of 255.27 g/mol, XLogP of -1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-1-[2-(prop-2-enylamino)acetyl]piperazin-2-yl]acetic acid is sourced from PubChem (CID 79278410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).