2-cyclopropyl-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid

C12H15N3O5 — CID 43360448

IUPAC2-cyclopropyl-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cn1ccc(=O)[nH]c1=O)(C(=O)O)C1CC1
InChIInChI=1S/C12H15N3O5/c1-12(10(18)19,7-2-3-7)14-9(17)6-15-5-4-8(16)13-11(15)20/h4-5,7H,2-3,6H2,1H3,(H,14,17)(H,18,19)(H,13,16,20)
InChIKeyDHUBJQIBGIBIJP-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.09
Rot. Bonds5

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

2-cyclopropyl-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid (PubChem CID 43360448) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
PubChem CID43360448
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name2-cyclopropyl-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cn1ccc(=O)[nH]c1=O)(C(=O)O)C1CC1
InChIInChI=1S/C12H15N3O5/c1-12(10(18)19,7-2-3-7)14-9(17)6-15-5-4-8(16)13-11(15)20/h4-5,7H,2-3,6H2,1H3,(H,14,17)(H,18,19)(H,13,16,20)
InChIKeyDHUBJQIBGIBIJP-UHFFFAOYSA-N
XLogP-1.09
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid with MolForge

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Related Compounds

(2S)-2-(cyclopropanecarbonylamino)-3-(2,4-dioxopyrimidin-1-yl)propanoic acid
CID 56774524
Orotyl-leucine
CID 28194900
2-(2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)-4-methylpentanoic acid
CID 24700673
(2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-4-methylpentanoic acid
CID 175798322
(2R)-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid
CID 28194898
2-Cyclopropyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]propanoic acid
CID 43162986
2-cyclopropyl-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 43163002
1-[[2-(3-Methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43169544
2-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 43170165
1-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43172477
2-Cyclopropyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43172543
2-cyclopropyl-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid
CID 43341270

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid (CID 43360448) is 2-cyclopropyl-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid is CC(NC(=O)Cn1ccc(=O)[nH]c1=O)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is DHUBJQIBGIBIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-12(10(18)19,7-2-3-7)14-9(17)6-15-5-4-8(16)13-11(15)20/h4-5,7H,2-3,6H2,1H3,(H,14,17)(H,18,19)(H,13,16,20).
What are the key properties of 2-cyclopropyl-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid?
2-cyclopropyl-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 281.27 g/mol, XLogP of -1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 43360448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).