5-amino-3-carbamoyl-5-oxopentanoic acid

C6H10N2O4 — CID 174470938

IUPAC5-amino-3-carbamoyl-5-oxopentanoic acid
SMILESNC(=O)CC(CC(=O)O)C(N)=O
InChIInChI=1S/C6H10N2O4/c7-4(9)1-3(6(8)12)2-5(10)11/h3H,1-2H2,(H2,7,9)(H2,8,12)(H,10,11)
InChIKeyLRBIIZNAURFUGJ-UHFFFAOYSA-N
MW174.16 g/mol
LogP-1.56
Rot. Bonds5

About 5-amino-3-carbamoyl-5-oxopentanoic acid

5-amino-3-carbamoyl-5-oxopentanoic acid (PubChem CID 174470938) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is 5-amino-3-carbamoyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-3-carbamoyl-5-oxopentanoic acid
PubChem CID174470938
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name5-amino-3-carbamoyl-5-oxopentanoic acid
SMILESNC(=O)CC(CC(=O)O)C(N)=O
InChIInChI=1S/C6H10N2O4/c7-4(9)1-3(6(8)12)2-5(10)11/h3H,1-2H2,(H2,7,9)(H2,8,12)(H,10,11)
InChIKeyLRBIIZNAURFUGJ-UHFFFAOYSA-N
XLogP-1.56
TPSA123.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-carbamoyl-5-oxopentanoic acid?
The IUPAC name of 5-amino-3-carbamoyl-5-oxopentanoic acid (CID 174470938) is 5-amino-3-carbamoyl-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-3-carbamoyl-5-oxopentanoic acid?
The canonical SMILES for 5-amino-3-carbamoyl-5-oxopentanoic acid is NC(=O)CC(CC(=O)O)C(N)=O.
What is the InChIKey of 5-amino-3-carbamoyl-5-oxopentanoic acid?
The InChIKey is LRBIIZNAURFUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4/c7-4(9)1-3(6(8)12)2-5(10)11/h3H,1-2H2,(H2,7,9)(H2,8,12)(H,10,11).
What are the key properties of 5-amino-3-carbamoyl-5-oxopentanoic acid?
5-amino-3-carbamoyl-5-oxopentanoic acid has a molecular weight of 174.16 g/mol, XLogP of -1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-carbamoyl-5-oxopentanoic acid is sourced from PubChem (CID 174470938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).