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

C12H17N3O5 — CID 81368356

IUPAC2,2-dimethyl-3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESCn1c(=O)ccn(CC(=O)NCC(C)(C)C(=O)O)c1=O
InChIInChI=1S/C12H17N3O5/c1-12(2,10(18)19)7-13-8(16)6-15-5-4-9(17)14(3)11(15)20/h4-5H,6-7H2,1-3H3,(H,13,16)(H,18,19)
InChIKeyAYHZWIIYDYEZDI-UHFFFAOYSA-N
MW283.28 g/mol
LogP-1.23
Rot. Bonds5

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

2,2-dimethyl-3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid (PubChem CID 81368356) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
PubChem CID81368356
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2,2-dimethyl-3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESCn1c(=O)ccn(CC(=O)NCC(C)(C)C(=O)O)c1=O
InChIInChI=1S/C12H17N3O5/c1-12(2,10(18)19)7-13-8(16)6-15-5-4-9(17)14(3)11(15)20/h4-5H,6-7H2,1-3H3,(H,13,16)(H,18,19)
InChIKeyAYHZWIIYDYEZDI-UHFFFAOYSA-N
XLogP-1.23
TPSA110.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 51078866
N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60621687
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-methyl-2-morpholin-4-ylbutyl]acetamide
CID 39135540
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914909
(2S)-3-methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 61137273
2-(4-chlorophenyl)-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 120977685
N-(2-amino-2-oxoethoxy)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 112550431
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 39890263
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 119574836
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride
CID 119574835
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64546219
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60573556

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid (CID 81368356) is 2,2-dimethyl-3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid is Cn1c(=O)ccn(CC(=O)NCC(C)(C)C(=O)O)c1=O.
What is the InChIKey of 2,2-dimethyl-3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is AYHZWIIYDYEZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-12(2,10(18)19)7-13-8(16)6-15-5-4-9(17)14(3)11(15)20/h4-5H,6-7H2,1-3H3,(H,13,16)(H,18,19).
What are the key properties of 2,2-dimethyl-3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid?
2,2-dimethyl-3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 283.28 g/mol, XLogP of -1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 81368356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).