2,4-dioxo-1H-pyrimidine-6-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid

C10H13N3O6 — CID 67591082

IUPAC2,4-dioxo-1H-pyrimidine-6-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1.O=C(O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H4N2O4.C5H9NO2/c8-3-1-2(4(9)10)6-5(11)7-3;7-5(8)4-2-1-3-6-4/h1H,(H,9,10)(H2,6,7,8,11);4,6H,1-3H2,(H,7,8)/t;4-/m.0/s1
InChIKeyXXGOEQFQCQHHPG-VWMHFEHESA-N
MW271.23 g/mol
LogP-1.42
Rot. Bonds2

About 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid

2,4-dioxo-1H-pyrimidine-6-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 67591082) has the molecular formula C10H13N3O6 and a molecular weight of 271.23 g/mol. Its IUPAC name is 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2,4-dioxo-1H-pyrimidine-6-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID67591082
Molecular FormulaC10H13N3O6
Molecular Weight271.23 g/mol
Exact Mass271.08
IUPAC Name2,4-dioxo-1H-pyrimidine-6-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1.O=C(O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H4N2O4.C5H9NO2/c8-3-1-2(4(9)10)6-5(11)7-3;7-5(8)4-2-1-3-6-4/h1H,(H,9,10)(H2,6,7,8,11);4,6H,1-3H2,(H,7,8)/t;4-/m.0/s1
InChIKeyXXGOEQFQCQHHPG-VWMHFEHESA-N
XLogP-1.42
TPSA152.35 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 5-1.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

L-Lysine mono(1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate)
CID 119786
2,4-dioxo-1H-pyrimidine-6-carboxylic acid;pyrrolidine-2-carboxylic acid
CID 17776561
2,6-diaminohexanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 23436594
1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 24695462
L-Arginine Orotate
CID 42630666
(2S)-2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 45107261
2-amino-5-(diaminomethylideneamino)pentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 68554717
2,5-diaminopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 68559510
2-amino-5-(carbamoylamino)pentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 69756930
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 69756933
[(2S)-pyrrolidine-2-carbonyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 88303099
1H-pyrimidine-2,4-dione;pyrrolidine-2-carboxylic acid
CID 142648152

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 67591082) is 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1.O=C(O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is XXGOEQFQCQHHPG-VWMHFEHESA-N. The full InChI is InChI=1S/C5H4N2O4.C5H9NO2/c8-3-1-2(4(9)10)6-5(11)7-3;7-5(8)4-2-1-3-6-4/h1H,(H,9,10)(H2,6,7,8,11);4,6H,1-3H2,(H,7,8)/t;4-/m.0/s1.
What are the key properties of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid?
2,4-dioxo-1H-pyrimidine-6-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 271.23 g/mol, XLogP of -1.42, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67591082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).