2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]acetic acid

C9H10FN3O2 — CID 104605905

IUPAC2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]acetic acid
SMILESO=C(O)C(Nc1ncc(F)cn1)C1CC1
InChIInChI=1S/C9H10FN3O2/c10-6-3-11-9(12-4-6)13-7(8(14)15)5-1-2-5/h3-5,7H,1-2H2,(H,14,15)(H,11,12,13)
InChIKeyHSACZDQAUMKDPM-UHFFFAOYSA-N
MW211.20 g/mol
LogP0.89
Rot. Bonds4

About 2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]acetic acid

2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]acetic acid (PubChem CID 104605905) has the molecular formula C9H10FN3O2 and a molecular weight of 211.20 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]acetic acid
PubChem CID104605905
Molecular FormulaC9H10FN3O2
Molecular Weight211.20 g/mol
Exact Mass211.08
IUPAC Name2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]acetic acid
SMILESO=C(O)C(Nc1ncc(F)cn1)C1CC1
InChIInChI=1S/C9H10FN3O2/c10-6-3-11-9(12-4-6)13-7(8(14)15)5-1-2-5/h3-5,7H,1-2H2,(H,14,15)(H,11,12,13)
InChIKeyHSACZDQAUMKDPM-UHFFFAOYSA-N
XLogP0.89
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(2,3,4,5,6-pentafluoroanilino)acetic acid
CID 62697316
2-cyclohexyl-2-(quinazolin-2-ylamino)acetic acid
CID 114788534
2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid
CID 104605858
2-cyclopropyl-2-(pyrimidin-4-ylamino)acetic acid
CID 62696167
5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine
CID 103826213
1-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]ethanol
CID 115750087
2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide
CID 115749975
2-(3-fluoro-5-methylanilino)-2-(oxan-4-yl)acetic acid
CID 79049887
2-cyclopropyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 55107908
2-cyclopropyl-2-[(5-nitro-2-pyridinyl)amino]acetic acid
CID 62695778
2-(3-fluoroanilino)-2-(oxan-4-yl)acetic acid
CID 62384897
2-cyclopropyl-2-(2-fluoro-6-methylanilino)acetic acid
CID 103266614

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]acetic acid (CID 104605905) is 2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]acetic acid is O=C(O)C(Nc1ncc(F)cn1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]acetic acid?
The InChIKey is HSACZDQAUMKDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O2/c10-6-3-11-9(12-4-6)13-7(8(14)15)5-1-2-5/h3-5,7H,1-2H2,(H,14,15)(H,11,12,13).
What are the key properties of 2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]acetic acid?
2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]acetic acid has a molecular weight of 211.20 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]acetic acid is sourced from PubChem (CID 104605905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).