3-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid

C8H13N3O4 — CID 61182862

IUPAC3-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CCNC(=O)C1
InChIInChI=1S/C8H13N3O4/c12-6-5-11(4-3-9-6)8(15)10-2-1-7(13)14/h1-5H2,(H,9,12)(H,10,15)(H,13,14)
InChIKeyCMSSDXHDDKULKM-UHFFFAOYSA-N
MW215.21 g/mol
LogP-1.40
Rot. Bonds3

About 3-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid

3-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid (PubChem CID 61182862) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 3-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
PubChem CID61182862
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name3-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CCNC(=O)C1
InChIInChI=1S/C8H13N3O4/c12-6-5-11(4-3-9-6)8(15)10-2-1-7(13)14/h1-5H2,(H,9,12)(H,10,15)(H,13,14)
InChIKeyCMSSDXHDDKULKM-UHFFFAOYSA-N
XLogP-1.40
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 61183034
5-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 65363801
N-ethyl-3-oxopiperazine-1-carboxamide
CID 53017572
N-hexyl-3-oxopiperazine-1-carboxamide
CID 134847041
6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid
CID 43447158
2-[1-[[(3-oxopiperazine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81161942
N-methyl-3-oxopiperazine-1-carboxamide
CID 53017571
3-oxo-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide
CID 71862960
2-[4-[[(3-oxopiperazine-1-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458456
2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 61181300
5-amino-5-oxo-2-[(3-oxopiperazine-1-carbonyl)amino]pentanoic acid
CID 61181984
N-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]acetamide
CID 134028981

Frequently Asked Questions

What is the IUPAC name of 3-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid (CID 61182862) is 3-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid is O=C(O)CCNC(=O)N1CCNC(=O)C1.
What is the InChIKey of 3-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid?
The InChIKey is CMSSDXHDDKULKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c12-6-5-11(4-3-9-6)8(15)10-2-1-7(13)14/h1-5H2,(H,9,12)(H,10,15)(H,13,14).
What are the key properties of 3-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid?
3-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid has a molecular weight of 215.21 g/mol, XLogP of -1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61182862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).