2-cyclopropyl-2-[(4-methylpyrimidine-5-carbonyl)amino]acetic acid

C11H13N3O3 — CID 120521059

IUPAC2-cyclopropyl-2-[(4-methylpyrimidine-5-carbonyl)amino]acetic acid
SMILESCc1ncncc1C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C11H13N3O3/c1-6-8(4-12-5-13-6)10(15)14-9(11(16)17)7-2-3-7/h4-5,7,9H,2-3H2,1H3,(H,14,15)(H,16,17)
InChIKeyORRSXPXMXFPCEL-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.38
Rot. Bonds4

About 2-cyclopropyl-2-[(4-methylpyrimidine-5-carbonyl)amino]acetic acid

2-cyclopropyl-2-[(4-methylpyrimidine-5-carbonyl)amino]acetic acid (PubChem CID 120521059) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-methylpyrimidine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4-methylpyrimidine-5-carbonyl)amino]acetic acid
PubChem CID120521059
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-cyclopropyl-2-[(4-methylpyrimidine-5-carbonyl)amino]acetic acid
SMILESCc1ncncc1C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C11H13N3O3/c1-6-8(4-12-5-13-6)10(15)14-9(11(16)17)7-2-3-7/h4-5,7,9H,2-3H2,1H3,(H,14,15)(H,16,17)
InChIKeyORRSXPXMXFPCEL-UHFFFAOYSA-N
XLogP0.38
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4-methylpyrimidine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(4-methylpyrimidine-5-carbonyl)amino]acetic acid (CID 120521059) is 2-cyclopropyl-2-[(4-methylpyrimidine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4-methylpyrimidine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4-methylpyrimidine-5-carbonyl)amino]acetic acid is Cc1ncncc1C(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(4-methylpyrimidine-5-carbonyl)amino]acetic acid?
The InChIKey is ORRSXPXMXFPCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-6-8(4-12-5-13-6)10(15)14-9(11(16)17)7-2-3-7/h4-5,7,9H,2-3H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-cyclopropyl-2-[(4-methylpyrimidine-5-carbonyl)amino]acetic acid?
2-cyclopropyl-2-[(4-methylpyrimidine-5-carbonyl)amino]acetic acid has a molecular weight of 235.24 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4-methylpyrimidine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 120521059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).