3-cyclopropyl-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]propanoic acid

C13H18N4O4 — CID 107602108

IUPAC3-cyclopropyl-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]propanoic acid
SMILESCOc1cc(C)nc(NC(=O)NC(CC(=O)O)C2CC2)n1
InChIInChI=1S/C13H18N4O4/c1-7-5-10(21-2)16-12(14-7)17-13(20)15-9(6-11(18)19)8-3-4-8/h5,8-9H,3-4,6H2,1-2H3,(H,18,19)(H2,14,15,16,17,20)
InChIKeyFWVZHTICWQFXGT-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.17
Rot. Bonds6

About 3-cyclopropyl-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]propanoic acid

3-cyclopropyl-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]propanoic acid (PubChem CID 107602108) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-cyclopropyl-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]propanoic acid
PubChem CID107602108
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name3-cyclopropyl-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]propanoic acid
SMILESCOc1cc(C)nc(NC(=O)NC(CC(=O)O)C2CC2)n1
InChIInChI=1S/C13H18N4O4/c1-7-5-10(21-2)16-12(14-7)17-13(20)15-9(6-11(18)19)8-3-4-8/h5,8-9H,3-4,6H2,1-2H3,(H,18,19)(H2,14,15,16,17,20)
InChIKeyFWVZHTICWQFXGT-UHFFFAOYSA-N
XLogP1.17
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]propanoic acid with MolForge

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Related Compounds

5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methyl-5-oxopentanoic acid
CID 107605563
3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-4-oxobutanoic acid
CID 107600043
(2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 107602057
2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107602103
4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107602545
N-(dicyclopropylmethyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 112691713
2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]-2-methylpropanoic acid
CID 107602133
2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107605555
2-[1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 107602147
3-cyclopropyl-3-[(3,5-dimethoxy-4-methylbenzoyl)amino]propanoic acid
CID 71915558
(2R)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 107829628
(2S)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]pentanoic acid
CID 107629256

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]propanoic acid (CID 107602108) is 3-cyclopropyl-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]propanoic acid is COc1cc(C)nc(NC(=O)NC(CC(=O)O)C2CC2)n1.
What is the InChIKey of 3-cyclopropyl-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]propanoic acid?
The InChIKey is FWVZHTICWQFXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-7-5-10(21-2)16-12(14-7)17-13(20)15-9(6-11(18)19)8-3-4-8/h5,8-9H,3-4,6H2,1-2H3,(H,18,19)(H2,14,15,16,17,20).
What are the key properties of 3-cyclopropyl-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]propanoic acid?
3-cyclopropyl-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]propanoic acid has a molecular weight of 294.31 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 107602108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).