2-cyclopropyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]acetic acid

C12H20N2O4 — CID 82742663

IUPAC2-cyclopropyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]acetic acid
SMILESCC1OCCC1N(C)C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C12H20N2O4/c1-7-9(5-6-18-7)14(2)12(17)13-10(11(15)16)8-3-4-8/h7-10H,3-6H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyZXPLTJPWEFWDFK-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.67
Rot. Bonds4

About 2-cyclopropyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]acetic acid

2-cyclopropyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]acetic acid (PubChem CID 82742663) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]acetic acid
PubChem CID82742663
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-cyclopropyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]acetic acid
SMILESCC1OCCC1N(C)C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C12H20N2O4/c1-7-9(5-6-18-7)14(2)12(17)13-10(11(15)16)8-3-4-8/h7-10H,3-6H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyZXPLTJPWEFWDFK-UHFFFAOYSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]acetic acid (CID 82742663) is 2-cyclopropyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]acetic acid is CC1OCCC1N(C)C(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]acetic acid?
The InChIKey is ZXPLTJPWEFWDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-7-9(5-6-18-7)14(2)12(17)13-10(11(15)16)8-3-4-8/h7-10H,3-6H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-cyclopropyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]acetic acid?
2-cyclopropyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]acetic acid has a molecular weight of 256.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 82742663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).