2-hydroxypentanedioic acid;urea

C6H12N2O6 — CID 175478828

IUPAC2-hydroxypentanedioic acid;urea
SMILESNC(N)=O.O=C(O)CCC(O)C(=O)O
InChIInChI=1S/C5H8O5.CH4N2O/c6-3(5(9)10)1-2-4(7)8;2-1(3)4/h3,6H,1-2H2,(H,7,8)(H,9,10);(H4,2,3,4)
InChIKeyKRAGXLUBFQPCPV-UHFFFAOYSA-N
MW208.17 g/mol
LogP-1.68
Rot. Bonds4

About 2-hydroxypentanedioic acid;urea

2-hydroxypentanedioic acid;urea (PubChem CID 175478828) has the molecular formula C6H12N2O6 and a molecular weight of 208.17 g/mol. Its IUPAC name is 2-hydroxypentanedioic acid;urea.

Molecular Properties

Compound Name2-hydroxypentanedioic acid;urea
PubChem CID175478828
Molecular FormulaC6H12N2O6
Molecular Weight208.17 g/mol
Exact Mass208.07
IUPAC Name2-hydroxypentanedioic acid;urea
SMILESNC(N)=O.O=C(O)CCC(O)C(=O)O
InChIInChI=1S/C5H8O5.CH4N2O/c6-3(5(9)10)1-2-4(7)8;2-1(3)4/h3,6H,1-2H2,(H,7,8)(H,9,10);(H4,2,3,4)
InChIKeyKRAGXLUBFQPCPV-UHFFFAOYSA-N
XLogP-1.68
TPSA163.94 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 5-1.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-hydroxypentanedioic acid;hydrate
CID 141372843
sodium;hydride;(2R)-2-hydroxypentanedioic acid
CID 174887046
2-hydroxyheptanedioic acid
CID 160889869
2-hydroxynonanedioic acid
CID 12760708
4-hydroxy-5-iodo-5-oxopentanoic acid
CID 90138235
(4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid
CID 92975324
strontium;(2R)-2-aminopentanedioic acid;hydride
CID 173074924
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
4-amino-4-hydroxybutanoic acid;palladium
CID 87204989
2-aminopentanedioic acid
CID 611
butanedioic acid;2-hydroxy-4-methylsulfanylbutanoic acid
CID 175175078
4,7,10-trihydroxytridecanedioic acid
CID 174508120

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypentanedioic acid;urea?
The IUPAC name of 2-hydroxypentanedioic acid;urea (CID 175478828) is 2-hydroxypentanedioic acid;urea.
What is the SMILES notation for 2-hydroxypentanedioic acid;urea?
The canonical SMILES for 2-hydroxypentanedioic acid;urea is NC(N)=O.O=C(O)CCC(O)C(=O)O.
What is the InChIKey of 2-hydroxypentanedioic acid;urea?
The InChIKey is KRAGXLUBFQPCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O5.CH4N2O/c6-3(5(9)10)1-2-4(7)8;2-1(3)4/h3,6H,1-2H2,(H,7,8)(H,9,10);(H4,2,3,4).
What are the key properties of 2-hydroxypentanedioic acid;urea?
2-hydroxypentanedioic acid;urea has a molecular weight of 208.17 g/mol, XLogP of -1.68, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypentanedioic acid;urea is sourced from PubChem (CID 175478828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).