2-amino-4-oxo-4-piperazin-1-ylbutanoic acid

C8H15N3O3 — CID 70945873

IUPAC2-amino-4-oxo-4-piperazin-1-ylbutanoic acid
SMILESNC(CC(=O)N1CCNCC1)C(=O)O
InChIInChI=1S/C8H15N3O3/c9-6(8(13)14)5-7(12)11-3-1-10-2-4-11/h6,10H,1-5,9H2,(H,13,14)
InChIKeyMGVZUJZHAIKSOE-UHFFFAOYSA-N
MW201.23 g/mol
LogP-1.78
Rot. Bonds3

About 2-amino-4-oxo-4-piperazin-1-ylbutanoic acid

2-amino-4-oxo-4-piperazin-1-ylbutanoic acid (PubChem CID 70945873) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-amino-4-oxo-4-piperazin-1-ylbutanoic acid.

Molecular Properties

Compound Name2-amino-4-oxo-4-piperazin-1-ylbutanoic acid
PubChem CID70945873
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name2-amino-4-oxo-4-piperazin-1-ylbutanoic acid
SMILESNC(CC(=O)N1CCNCC1)C(=O)O
InChIInChI=1S/C8H15N3O3/c9-6(8(13)14)5-7(12)11-3-1-10-2-4-11/h6,10H,1-5,9H2,(H,13,14)
InChIKeyMGVZUJZHAIKSOE-UHFFFAOYSA-N
XLogP-1.78
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-1.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-oxo-4-piperidin-1-ylbutanoic acid
CID 67330383
(2S)-2-amino-4-oxo-4-(4-piperidin-3-ylpiperidin-1-yl)butanoic acid
CID 146145442
(2S)-2-amino-4-[(4-oxo-4-piperazin-1-ylbutanoyl)amino]butanoic acid
CID 67155036
3-hydroxy-1-piperazin-1-ylbutan-1-one
CID 10583332
4-amino-3-methyl-1-piperazin-1-ylbutan-1-one
CID 81072124
4,4,4-trifluoro-1-piperazin-1-yl-3-(trifluoromethyl)butan-1-one
CID 84714810
(3R)-3,5,5-trimethyl-1-piperazin-1-ylhexan-1-one
CID 93256892
3-methoxy-1-piperazin-1-ylbutan-1-one
CID 82504294
2-amino-1,3-di(piperazin-1-yl)propan-1-one
CID 82511538
1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244
(2S)-2-amino-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 42627584
3,3-dimorpholin-4-yl-1-piperazin-1-ylpropan-1-one
CID 175463060

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-oxo-4-piperazin-1-ylbutanoic acid?
The IUPAC name of 2-amino-4-oxo-4-piperazin-1-ylbutanoic acid (CID 70945873) is 2-amino-4-oxo-4-piperazin-1-ylbutanoic acid.
What is the SMILES notation for 2-amino-4-oxo-4-piperazin-1-ylbutanoic acid?
The canonical SMILES for 2-amino-4-oxo-4-piperazin-1-ylbutanoic acid is NC(CC(=O)N1CCNCC1)C(=O)O.
What is the InChIKey of 2-amino-4-oxo-4-piperazin-1-ylbutanoic acid?
The InChIKey is MGVZUJZHAIKSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c9-6(8(13)14)5-7(12)11-3-1-10-2-4-11/h6,10H,1-5,9H2,(H,13,14).
What are the key properties of 2-amino-4-oxo-4-piperazin-1-ylbutanoic acid?
2-amino-4-oxo-4-piperazin-1-ylbutanoic acid has a molecular weight of 201.23 g/mol, XLogP of -1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-oxo-4-piperazin-1-ylbutanoic acid is sourced from PubChem (CID 70945873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).