2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid

C12H15N3O4 — CID 43360373

IUPAC2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cn1cccnc1=O)(C(=O)O)C1CC1
InChIInChI=1S/C12H15N3O4/c1-12(10(17)18,8-3-4-8)14-9(16)7-15-6-2-5-13-11(15)19/h2,5-6,8H,3-4,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyJOLFBNWIBBJUNW-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.39
Rot. Bonds5

About 2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid

2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid (PubChem CID 43360373) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
PubChem CID43360373
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cn1cccnc1=O)(C(=O)O)C1CC1
InChIInChI=1S/C12H15N3O4/c1-12(10(17)18,8-3-4-8)14-9(16)7-15-6-2-5-13-11(15)19/h2,5-6,8H,3-4,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyJOLFBNWIBBJUNW-UHFFFAOYSA-N
XLogP-0.39
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid with MolForge

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Related Compounds

4-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43170148
3-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43170393
3-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43356432
1-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43360222
Methyl 4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate
CID 43431552
2-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43618689
Methyl 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoate
CID 43623952
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43630438
(2S)-4-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 61136658
(2S,3S)-3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 61136812
(2S)-3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 61137869
(2S)-3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 61172219

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid (CID 43360373) is 2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid is CC(NC(=O)Cn1cccnc1=O)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is JOLFBNWIBBJUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-12(10(17)18,8-3-4-8)14-9(16)7-15-6-2-5-13-11(15)19/h2,5-6,8H,3-4,7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 265.27 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 43360373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).