2-(2-ethyl-3-oxopiperazin-1-yl)propanoic acid

C9H16N2O3 — CID 63602723

IUPAC2-(2-ethyl-3-oxopiperazin-1-yl)propanoic acid
SMILESCCC1C(=O)NCCN1C(C)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-3-7-8(12)10-4-5-11(7)6(2)9(13)14/h6-7H,3-5H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyUTTQEQZAMDTKQV-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.33
Rot. Bonds3

About 2-(2-ethyl-3-oxopiperazin-1-yl)propanoic acid

2-(2-ethyl-3-oxopiperazin-1-yl)propanoic acid (PubChem CID 63602723) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(2-ethyl-3-oxopiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-ethyl-3-oxopiperazin-1-yl)propanoic acid
PubChem CID63602723
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-(2-ethyl-3-oxopiperazin-1-yl)propanoic acid
SMILESCCC1C(=O)NCCN1C(C)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-3-7-8(12)10-4-5-11(7)6(2)9(13)14/h6-7H,3-5H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyUTTQEQZAMDTKQV-UHFFFAOYSA-N
XLogP-0.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

2-(2-ethyl-3-oxopiperazin-1-yl)pentanoic acid
CID 83040885
3-ethyl-4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]piperazin-2-one
CID 63601850
2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid
CID 63600273
3-ethyl-4-(2-oxopropyl)piperazin-2-one
CID 63600634
3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one
CID 114282285
4-(2-bromopropanoyl)-3-ethylpiperazin-2-one
CID 107905248
3-ethyl-4-(3-methylpentanoyl)piperazin-2-one
CID 114875520
3-(2-ethyl-3-oxopiperazin-1-yl)pentanenitrile
CID 55215760
2-[(2-ethyl-3-oxopiperazine-1-carbonyl)-methylamino]acetic acid
CID 55217318
3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one
CID 63602812
4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one
CID 63600469
(2R)-2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid
CID 107566992

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-oxopiperazin-1-yl)propanoic acid?
The IUPAC name of 2-(2-ethyl-3-oxopiperazin-1-yl)propanoic acid (CID 63602723) is 2-(2-ethyl-3-oxopiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(2-ethyl-3-oxopiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-(2-ethyl-3-oxopiperazin-1-yl)propanoic acid is CCC1C(=O)NCCN1C(C)C(=O)O.
What is the InChIKey of 2-(2-ethyl-3-oxopiperazin-1-yl)propanoic acid?
The InChIKey is UTTQEQZAMDTKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-7-8(12)10-4-5-11(7)6(2)9(13)14/h6-7H,3-5H2,1-2H3,(H,10,12)(H,13,14).
What are the key properties of 2-(2-ethyl-3-oxopiperazin-1-yl)propanoic acid?
2-(2-ethyl-3-oxopiperazin-1-yl)propanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-oxopiperazin-1-yl)propanoic acid is sourced from PubChem (CID 63602723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).