2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid

C12H15N3O5 — CID 43172585

IUPAC2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)(C(=O)O)C1CC1
InChIInChI=1S/C12H15N3O5/c1-12(10(18)19,6-2-3-6)15-9(17)5-7-4-8(16)14-11(20)13-7/h4,6H,2-3,5H2,1H3,(H,15,17)(H,18,19)(H2,13,14,16,20)
InChIKeyZUNGFYALPGPCBT-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.02
Rot. Bonds5

About 2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid

2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid (PubChem CID 43172585) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid
PubChem CID43172585
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)(C(=O)O)C1CC1
InChIInChI=1S/C12H15N3O5/c1-12(10(18)19,6-2-3-6)15-9(17)5-7-4-8(16)14-11(20)13-7/h4,6H,2-3,5H2,1H3,(H,15,17)(H,18,19)(H2,13,14,16,20)
InChIKeyZUNGFYALPGPCBT-UHFFFAOYSA-N
XLogP-1.02
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid with MolForge

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Related Compounds

2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methylpentanoic acid
CID 43170185
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-methylpentanoic acid
CID 43171244
1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43172487
2-cyclopropyl-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid
CID 43341270
2-cyclopropyl-2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 43360404
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpentanoic acid
CID 43618829
methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpentanoate
CID 43623937
2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
CID 55108579
(2S,3S)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-methylpentanoic acid
CID 61132684
(2S)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methylpentanoic acid
CID 61154995
(2S)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-methylpentanoic acid
CID 61172188
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpropanoic acid
CID 61262249

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid (CID 43172585) is 2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid is CC(NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid?
The InChIKey is ZUNGFYALPGPCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-12(10(18)19,6-2-3-6)15-9(17)5-7-4-8(16)14-11(20)13-7/h4,6H,2-3,5H2,1H3,(H,15,17)(H,18,19)(H2,13,14,16,20).
What are the key properties of 2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid?
2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid has a molecular weight of 281.27 g/mol, XLogP of -1.02, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 43172585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).