2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid

C8H13N3O4 — CID 61181300

IUPAC2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)N1CCNC(=O)C1)C(=O)O
InChIInChI=1S/C8H13N3O4/c1-5(7(13)14)10-8(15)11-3-2-9-6(12)4-11/h5H,2-4H2,1H3,(H,9,12)(H,10,15)(H,13,14)
InChIKeyLRSAVOQOAPFIIP-UHFFFAOYSA-N
MW215.21 g/mol
LogP-1.40
Rot. Bonds2

About 2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid

2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid (PubChem CID 61181300) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
PubChem CID61181300
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)N1CCNC(=O)C1)C(=O)O
InChIInChI=1S/C8H13N3O4/c1-5(7(13)14)10-8(15)11-3-2-9-6(12)4-11/h5H,2-4H2,1H3,(H,9,12)(H,10,15)(H,13,14)
InChIKeyLRSAVOQOAPFIIP-UHFFFAOYSA-N
XLogP-1.40
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
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

(2S)-4-hydroxy-2-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 107825580
N-methyl-3-oxopiperazine-1-carboxamide
CID 53017571
(2R)-2-(piperazine-1-carbonylamino)propanoic acid
CID 78972178
5-amino-5-oxo-2-[(3-oxopiperazine-1-carbonyl)amino]pentanoic acid
CID 61181984
N-ethyl-3-oxopiperazine-1-carboxamide
CID 53017572
(2S)-4-methyl-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 65363653
(2R)-4-hydroxy-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 107828142
5-oxo-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 60968905
4-acetylpiperazin-2-one
CID 12744517
N-[3-methyl-1-oxo-1-(3-oxopiperazin-1-yl)butan-2-yl]acetamide
CID 60636396
3-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 61182862
(2S)-2-(piperidine-1-carbonylamino)propanoic acid
CID 945005

Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid (CID 61181300) is 2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid is CC(NC(=O)N1CCNC(=O)C1)C(=O)O.
What is the InChIKey of 2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid?
The InChIKey is LRSAVOQOAPFIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c1-5(7(13)14)10-8(15)11-3-2-9-6(12)4-11/h5H,2-4H2,1H3,(H,9,12)(H,10,15)(H,13,14).
What are the key properties of 2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid?
2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid has a molecular weight of 215.21 g/mol, XLogP of -1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61181300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).