1-[2-(carbamoylamino)propanoyl]-5-oxopiperazine-2-carboxylic acid

C9H14N4O5 — CID 107432994

IUPAC1-[2-(carbamoylamino)propanoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCC(NC(N)=O)C(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C9H14N4O5/c1-4(12-9(10)18)7(15)13-3-6(14)11-2-5(13)8(16)17/h4-5H,2-3H2,1H3,(H,11,14)(H,16,17)(H3,10,12,18)
InChIKeyRPFMUSNWGKLNCD-UHFFFAOYSA-N
MW258.23 g/mol
LogP-2.55
Rot. Bonds3

About 1-[2-(carbamoylamino)propanoyl]-5-oxopiperazine-2-carboxylic acid

1-[2-(carbamoylamino)propanoyl]-5-oxopiperazine-2-carboxylic acid (PubChem CID 107432994) has the molecular formula C9H14N4O5 and a molecular weight of 258.23 g/mol. Its IUPAC name is 1-[2-(carbamoylamino)propanoyl]-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(carbamoylamino)propanoyl]-5-oxopiperazine-2-carboxylic acid
PubChem CID107432994
Molecular FormulaC9H14N4O5
Molecular Weight258.23 g/mol
Exact Mass258.10
IUPAC Name1-[2-(carbamoylamino)propanoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCC(NC(N)=O)C(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C9H14N4O5/c1-4(12-9(10)18)7(15)13-3-6(14)11-2-5(13)8(16)17/h4-5H,2-3H2,1H3,(H,11,14)(H,16,17)(H3,10,12,18)
InChIKeyRPFMUSNWGKLNCD-UHFFFAOYSA-N
XLogP-2.55
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-2.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(carbamoylamino)-4-methylpentanoyl]-5-oxopiperazine-2-carboxylic acid
CID 107432952
1-(hexan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107438610
1-(2-methylpropoxycarbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107435066
5-oxo-1-[2-(1,2,4-triazol-1-yl)propanoyl]piperazine-2-carboxylic acid
CID 107433248
5-oxo-1-(2-phenoxypropanoyl)piperazine-2-carboxylic acid
CID 107433154
5-oxo-1-(2-propan-2-ylsulfanylacetyl)piperazine-2-carboxylic acid
CID 107432944
5-oxo-1-(2,3,3-trimethylbutylcarbamoyl)piperazine-2-carboxylic acid
CID 107439163
1-(2-methylsulfanylpropylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107439258
1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 106389297
1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432929
1-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438858
1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 106039103

Frequently Asked Questions

What is the IUPAC name of 1-[2-(carbamoylamino)propanoyl]-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-[2-(carbamoylamino)propanoyl]-5-oxopiperazine-2-carboxylic acid (CID 107432994) is 1-[2-(carbamoylamino)propanoyl]-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(carbamoylamino)propanoyl]-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-[2-(carbamoylamino)propanoyl]-5-oxopiperazine-2-carboxylic acid is CC(NC(N)=O)C(=O)N1CC(=O)NCC1C(=O)O.
What is the InChIKey of 1-[2-(carbamoylamino)propanoyl]-5-oxopiperazine-2-carboxylic acid?
The InChIKey is RPFMUSNWGKLNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O5/c1-4(12-9(10)18)7(15)13-3-6(14)11-2-5(13)8(16)17/h4-5H,2-3H2,1H3,(H,11,14)(H,16,17)(H3,10,12,18).
What are the key properties of 1-[2-(carbamoylamino)propanoyl]-5-oxopiperazine-2-carboxylic acid?
1-[2-(carbamoylamino)propanoyl]-5-oxopiperazine-2-carboxylic acid has a molecular weight of 258.23 g/mol, XLogP of -2.55, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(carbamoylamino)propanoyl]-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107432994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).