2-[(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid

C8H11N3O4 — CID 142743966

IUPAC2-[(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid
SMILESCn1c(=O)[nH]cc(CNCC(=O)O)c1=O
InChIInChI=1S/C8H11N3O4/c1-11-7(14)5(3-10-8(11)15)2-9-4-6(12)13/h3,9H,2,4H2,1H3,(H,10,15)(H,12,13)
InChIKeyDTGDHBUNLGGYJH-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.75
Rot. Bonds4

About 2-[(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid

2-[(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid (PubChem CID 142743966) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-[(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid
PubChem CID142743966
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-[(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid
SMILESCn1c(=O)[nH]cc(CNCC(=O)O)c1=O
InChIInChI=1S/C8H11N3O4/c1-11-7(14)5(3-10-8(11)15)2-9-4-6(12)13/h3,9H,2,4H2,1H3,(H,10,15)(H,12,13)
InChIKeyDTGDHBUNLGGYJH-UHFFFAOYSA-N
XLogP-1.75
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 853753
3-(2-Carboxyethyl)thymine
CID 173282
3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid
CID 1519563
Methyl 2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetate
CID 3757668
(6-Hydroxy-1,3-Dimethyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidine-5-Carbonyl)glycine
CID 131700132
n3-Carboxymethylthymine
CID 15747554
Thymine acetic acid
CID 22007969
methyl 3-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoate
CID 69940201
2-[2-(5-Methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]acetic acid
CID 89904170
N-[1-Hydroxy-2-(4-hydroxy-5-methyl-2-oxopyrimidin-1(2H)-yl)propylidene]alanine
CID 196362
2-[2-(Carbonofluoridoylamino)ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 143914917
2-(Methylamino)-ethylglycine-carbonylmethylene-thymine
CID 3381447

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid?
The IUPAC name of 2-[(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid (CID 142743966) is 2-[(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid is Cn1c(=O)[nH]cc(CNCC(=O)O)c1=O.
What is the InChIKey of 2-[(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid?
The InChIKey is DTGDHBUNLGGYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-11-7(14)5(3-10-8(11)15)2-9-4-6(12)13/h3,9H,2,4H2,1H3,(H,10,15)(H,12,13).
What are the key properties of 2-[(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid?
2-[(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid has a molecular weight of 213.19 g/mol, XLogP of -1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid is sourced from PubChem (CID 142743966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).