3-hydroxy-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid

C10H13N3O6 — CID 43171664

IUPAC3-hydroxy-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESCn1c(=O)ccn(CC(=O)NC(CO)C(=O)O)c1=O
InChIInChI=1S/C10H13N3O6/c1-12-8(16)2-3-13(10(12)19)4-7(15)11-6(5-14)9(17)18/h2-3,6,14H,4-5H2,1H3,(H,11,15)(H,17,18)
InChIKeyCOQOREBEJYTBDS-UHFFFAOYSA-N
MW271.23 g/mol
LogP-2.89
Rot. Bonds5

About 3-hydroxy-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid

3-hydroxy-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid (PubChem CID 43171664) has the molecular formula C10H13N3O6 and a molecular weight of 271.23 g/mol. Its IUPAC name is 3-hydroxy-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
PubChem CID43171664
Molecular FormulaC10H13N3O6
Molecular Weight271.23 g/mol
Exact Mass271.08
IUPAC Name3-hydroxy-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESCn1c(=O)ccn(CC(=O)NC(CO)C(=O)O)c1=O
InChIInChI=1S/C10H13N3O6/c1-12-8(16)2-3-13(10(12)19)4-7(15)11-6(5-14)9(17)18/h2-3,6,14H,4-5H2,1H3,(H,11,15)(H,17,18)
InChIKeyCOQOREBEJYTBDS-UHFFFAOYSA-N
XLogP-2.89
TPSA130.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 5-2.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(2-hydroxyethyl)acetamide
CID 2064469
2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)acetic acid
CID 16037827
(S)-3-(2-amino-2-carboxyethyl)-1-carboxymethylpyrimidine-2,4-dione
CID 10988917
(2R)-2-amino-3-[3-(carboxymethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid
CID 11010618
(2S)-2-amino-3-[3-(carboxymethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid
CID 11054302
(S)-2-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)propanamido)acetic acid
CID 44413656
(2S,3R)-2-((S)-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)propanamido)-3-hydroxybutanoic acid
CID 44413658
(2S,3R)-2-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)acetamido)-3-hydroxybutanoic acid
CID 44413693
(2S)-3-(2,4-dioxopyrimidin-1-yl)-2-[(2-methoxyacetyl)amino]propanoic acid
CID 56774526
(2S)-2-(2,2-dimethylpropanoylamino)-3-(2,4-dioxopyrimidin-1-yl)propanoic acid
CID 56774528
(2S)-3-(2,4-dioxopyrimidin-1-yl)-2-(propan-2-ylamino)propanoic acid
CID 56774539
(2S)-2-(2,2-dimethylpropylamino)-3-(2,4-dioxopyrimidin-1-yl)propanoic acid
CID 71693224

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid (CID 43171664) is 3-hydroxy-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid is Cn1c(=O)ccn(CC(=O)NC(CO)C(=O)O)c1=O.
What is the InChIKey of 3-hydroxy-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is COQOREBEJYTBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6/c1-12-8(16)2-3-13(10(12)19)4-7(15)11-6(5-14)9(17)18/h2-3,6,14H,4-5H2,1H3,(H,11,15)(H,17,18).
What are the key properties of 3-hydroxy-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid?
3-hydroxy-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 271.23 g/mol, XLogP of -2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 43171664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).