2-[1-[(3-hydroxycyclobutanecarbonyl)amino]cyclopropyl]pyrimidine-4-carboxylic acid

C13H15N3O4 — CID 166398793

IUPAC2-[1-[(3-hydroxycyclobutanecarbonyl)amino]cyclopropyl]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C2(NC(=O)C3CC(O)C3)CC2)n1
InChIInChI=1S/C13H15N3O4/c17-8-5-7(6-8)10(18)16-13(2-3-13)12-14-4-1-9(15-12)11(19)20/h1,4,7-8,17H,2-3,5-6H2,(H,16,18)(H,19,20)
InChIKeyGFCODINHKMINRR-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.05
Rot. Bonds4

About 2-[1-[(3-hydroxycyclobutanecarbonyl)amino]cyclopropyl]pyrimidine-4-carboxylic acid

2-[1-[(3-hydroxycyclobutanecarbonyl)amino]cyclopropyl]pyrimidine-4-carboxylic acid (PubChem CID 166398793) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[1-[(3-hydroxycyclobutanecarbonyl)amino]cyclopropyl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(3-hydroxycyclobutanecarbonyl)amino]cyclopropyl]pyrimidine-4-carboxylic acid
PubChem CID166398793
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name2-[1-[(3-hydroxycyclobutanecarbonyl)amino]cyclopropyl]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C2(NC(=O)C3CC(O)C3)CC2)n1
InChIInChI=1S/C13H15N3O4/c17-8-5-7(6-8)10(18)16-13(2-3-13)12-14-4-1-9(15-12)11(19)20/h1,4,7-8,17H,2-3,5-6H2,(H,16,18)(H,19,20)
InChIKeyGFCODINHKMINRR-UHFFFAOYSA-N
XLogP0.05
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-Cyclopropylpyrimidine-4-carboxylic acid
CID 52374412
2-(1-{[(Tert-butoxy)carbonyl]amino}cyclopropyl)pyrimidine-4-carboxylic acid
CID 139016569
2-[(2,2-Difluorocyclopropyl)methyl]pyrimidine-4-carboxylic acid
CID 165448962
2-[1-(2,2,2-Trifluoroacetamido)cyclopropyl]pyrimidine-4-carboxylic acid
CID 165938910
2-[(3-Fluoro-2-hydroxypropyl)amino]pyrimidine-4-carboxylic acid
CID 167968101
2-(Cyclopropanecarbonylamino)pyrimidine-4-carboxylic acid
CID 67509336
2-(2-Carboxyethylcarbamoyl)pyrimidine-4-carboxylic acid
CID 70820626
2-(Piperidin-4-yl)pyrimidine-4-carboxylic acid
CID 84675085
2-[[(2-Oxo-2-piperidin-1-ylethyl)amino]methyl]pyrimidine-4-carboxylic acid
CID 118420931
2-(1-Cyclopropylethenylamino)pyrimidine-4-carboxylic acid
CID 124095381
2-(3-Hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 126683791
2-[(2-Cyclopropylacetyl)amino]pyrimidine-4-carboxylic acid
CID 148837436

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-hydroxycyclobutanecarbonyl)amino]cyclopropyl]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[1-[(3-hydroxycyclobutanecarbonyl)amino]cyclopropyl]pyrimidine-4-carboxylic acid (CID 166398793) is 2-[1-[(3-hydroxycyclobutanecarbonyl)amino]cyclopropyl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[(3-hydroxycyclobutanecarbonyl)amino]cyclopropyl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[1-[(3-hydroxycyclobutanecarbonyl)amino]cyclopropyl]pyrimidine-4-carboxylic acid is O=C(O)c1ccnc(C2(NC(=O)C3CC(O)C3)CC2)n1.
What is the InChIKey of 2-[1-[(3-hydroxycyclobutanecarbonyl)amino]cyclopropyl]pyrimidine-4-carboxylic acid?
The InChIKey is GFCODINHKMINRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c17-8-5-7(6-8)10(18)16-13(2-3-13)12-14-4-1-9(15-12)11(19)20/h1,4,7-8,17H,2-3,5-6H2,(H,16,18)(H,19,20).
What are the key properties of 2-[1-[(3-hydroxycyclobutanecarbonyl)amino]cyclopropyl]pyrimidine-4-carboxylic acid?
2-[1-[(3-hydroxycyclobutanecarbonyl)amino]cyclopropyl]pyrimidine-4-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-hydroxycyclobutanecarbonyl)amino]cyclopropyl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 166398793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).