2-amino-3-(2,5-dioxo-4-propylpiperazin-1-yl)propanoic acid

C10H17N3O4 — CID 79936689

IUPAC2-amino-3-(2,5-dioxo-4-propylpiperazin-1-yl)propanoic acid
SMILESCCCN1CC(=O)N(CC(N)C(=O)O)CC1=O
InChIInChI=1S/C10H17N3O4/c1-2-3-12-5-9(15)13(6-8(12)14)4-7(11)10(16)17/h7H,2-6,11H2,1H3,(H,16,17)
InChIKeyZSGRRLCCUDVUAP-UHFFFAOYSA-N
MW243.26 g/mol
LogP-1.52
Rot. Bonds5

About 2-amino-3-(2,5-dioxo-4-propylpiperazin-1-yl)propanoic acid

2-amino-3-(2,5-dioxo-4-propylpiperazin-1-yl)propanoic acid (PubChem CID 79936689) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-amino-3-(2,5-dioxo-4-propylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2,5-dioxo-4-propylpiperazin-1-yl)propanoic acid
PubChem CID79936689
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-amino-3-(2,5-dioxo-4-propylpiperazin-1-yl)propanoic acid
SMILESCCCN1CC(=O)N(CC(N)C(=O)O)CC1=O
InChIInChI=1S/C10H17N3O4/c1-2-3-12-5-9(15)13(6-8(12)14)4-7(11)10(16)17/h7H,2-6,11H2,1H3,(H,16,17)
InChIKeyZSGRRLCCUDVUAP-UHFFFAOYSA-N
XLogP-1.52
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(methylamino)butyl]-4-propylpiperazine-2,5-dione
CID 79937214
ethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate
CID 79937200
1-[2-(bromomethyl)butyl]-4-propylpiperazine-2,5-dione
CID 79936910
1-[2-amino-2-(oxolan-3-yl)ethyl]-4-propylpiperazine-2,5-dione
CID 104747986
1-(2-oxopentyl)-4-propylpiperazine-2,5-dione
CID 79941384
methyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate
CID 79936130
1-(3,3-dimethyl-2-oxobutyl)-4-propylpiperazine-2,5-dione
CID 79942486
5-(2,5-dioxo-4-propylpiperazin-1-yl)pentanehydrazide
CID 79942052
4-(2,5-dioxo-4-propylpiperazin-1-yl)-3-methylbut-2-enoic acid
CID 79936010
1-(3-hydroxy-3-methylbutyl)-4-propylpiperazine-2,5-dione
CID 79942754
1-propyl-4-(9-sulfanylnonyl)piperazine-2,5-dione
CID 105344649
1-(9-bromononyl)-4-propylpiperazine-2,5-dione
CID 105343167

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,5-dioxo-4-propylpiperazin-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2,5-dioxo-4-propylpiperazin-1-yl)propanoic acid (CID 79936689) is 2-amino-3-(2,5-dioxo-4-propylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2,5-dioxo-4-propylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2,5-dioxo-4-propylpiperazin-1-yl)propanoic acid is CCCN1CC(=O)N(CC(N)C(=O)O)CC1=O.
What is the InChIKey of 2-amino-3-(2,5-dioxo-4-propylpiperazin-1-yl)propanoic acid?
The InChIKey is ZSGRRLCCUDVUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-2-3-12-5-9(15)13(6-8(12)14)4-7(11)10(16)17/h7H,2-6,11H2,1H3,(H,16,17).
What are the key properties of 2-amino-3-(2,5-dioxo-4-propylpiperazin-1-yl)propanoic acid?
2-amino-3-(2,5-dioxo-4-propylpiperazin-1-yl)propanoic acid has a molecular weight of 243.26 g/mol, XLogP of -1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,5-dioxo-4-propylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 79936689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).