3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid

C10H17N3O4 — CID 64895581

IUPAC3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid
SMILESCCC1C(=O)NCCN1C(=O)C(N)CC(=O)O
InChIInChI=1S/C10H17N3O4/c1-2-7-9(16)12-3-4-13(7)10(17)6(11)5-8(14)15/h6-7H,2-5,11H2,1H3,(H,12,16)(H,14,15)
InChIKeySGPKJWIMWXOCKS-UHFFFAOYSA-N
MW243.26 g/mol
LogP-1.47
Rot. Bonds4

About 3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid

3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid (PubChem CID 64895581) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid
PubChem CID64895581
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid
SMILESCCC1C(=O)NCCN1C(=O)C(N)CC(=O)O
InChIInChI=1S/C10H17N3O4/c1-2-7-9(16)12-3-4-13(7)10(17)6(11)5-8(14)15/h6-7H,2-5,11H2,1H3,(H,12,16)(H,14,15)
InChIKeySGPKJWIMWXOCKS-UHFFFAOYSA-N
XLogP-1.47
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminopentanoyl)-3-ethylpiperazin-2-one
CID 63602807
3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one
CID 114282285
4-(2-amino-5-methoxypentanoyl)-3-ethylpiperazin-2-one
CID 81088563
4-(2-bromopropanoyl)-3-ethylpiperazin-2-one
CID 107905248
[1-(2-ethyl-3-oxopiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea
CID 63601168
4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one
CID 81080644
4-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-ethylpiperazin-2-one
CID 115290708
3-ethyl-4-(3-methylpentanoyl)piperazin-2-one
CID 114875520
2-[(2-ethyl-3-oxopiperazine-1-carbonyl)-methylamino]acetic acid
CID 55217318
(2S)-2-ethyl-3-oxopiperazine-1-carbothioamide
CID 95240750
3-ethyl-4-(2-ethylhexanoyl)piperazin-2-one
CID 63600640
ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate
CID 63603542

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid (CID 64895581) is 3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid is CCC1C(=O)NCCN1C(=O)C(N)CC(=O)O.
What is the InChIKey of 3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid?
The InChIKey is SGPKJWIMWXOCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-2-7-9(16)12-3-4-13(7)10(17)6(11)5-8(14)15/h6-7H,2-5,11H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid?
3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid has a molecular weight of 243.26 g/mol, XLogP of -1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 64895581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).