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

C10H12FN3O2 — CID 104605935

IUPAC2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]propanoic acid
SMILESCC(Nc1ncc(F)cn1)(C(=O)O)C1CC1
InChIInChI=1S/C10H12FN3O2/c1-10(8(15)16,6-2-3-6)14-9-12-4-7(11)5-13-9/h4-6H,2-3H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyKROBXPWFDBJHQM-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.28
Rot. Bonds4

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

2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]propanoic acid (PubChem CID 104605935) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]propanoic acid
PubChem CID104605935
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]propanoic acid
SMILESCC(Nc1ncc(F)cn1)(C(=O)O)C1CC1
InChIInChI=1S/C10H12FN3O2/c1-10(8(15)16,6-2-3-6)14-9-12-4-7(11)5-13-9/h4-6H,2-3H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyKROBXPWFDBJHQM-UHFFFAOYSA-N
XLogP1.28
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-[(5-fluoropyridine-2-carbonyl)amino]propanoic acid
CID 113435792
2-cyclopropyl-2-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid
CID 113452810
3-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide
CID 106097186
2-cyclopropyl-2-(cyclopropylamino)propanoic acid
CID 43754464
2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid
CID 103513145
2-cyclopropyl-2-(pyrimidin-2-ylcarbamoylamino)propanoic acid
CID 61185585
2-[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]-2-methylpropanoic acid
CID 135382824
2-cyclopropyl-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 43360385
2-[(5-fluoropyrimidin-2-yl)amino]acetic acid
CID 104605853
2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]acetic acid
CID 104605905
2-cyclopropyl-2-(2-fluoro-4-sulfamoylanilino)propanoic acid
CID 64670271
2-cyclopropyl-2-(2-fluoro-4-nitroanilino)propanoic acid
CID 64669460

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]propanoic acid (CID 104605935) is 2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]propanoic acid is CC(Nc1ncc(F)cn1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]propanoic acid?
The InChIKey is KROBXPWFDBJHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c1-10(8(15)16,6-2-3-6)14-9-12-4-7(11)5-13-9/h4-6H,2-3H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]propanoic acid?
2-cyclopropyl-2-[(5-fluoropyrimidin-2-yl)amino]propanoic acid has a molecular weight of 225.22 g/mol, XLogP of 1.28, 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]propanoic acid is sourced from PubChem (CID 104605935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).