2-[1-cyclopropylethylcarbamoyl(methyl)amino]acetic acid

C9H16N2O3 — CID 43533689

IUPAC2-[1-cyclopropylethylcarbamoyl(methyl)amino]acetic acid
SMILESCC(NC(=O)N(C)CC(=O)O)C1CC1
InChIInChI=1S/C9H16N2O3/c1-6(7-3-4-7)10-9(14)11(2)5-8(12)13/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyYDDFNCPNEXREFO-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.51
Rot. Bonds4

About 2-[1-cyclopropylethylcarbamoyl(methyl)amino]acetic acid

2-[1-cyclopropylethylcarbamoyl(methyl)amino]acetic acid (PubChem CID 43533689) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[1-cyclopropylethylcarbamoyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-cyclopropylethylcarbamoyl(methyl)amino]acetic acid
PubChem CID43533689
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[1-cyclopropylethylcarbamoyl(methyl)amino]acetic acid
SMILESCC(NC(=O)N(C)CC(=O)O)C1CC1
InChIInChI=1S/C9H16N2O3/c1-6(7-3-4-7)10-9(14)11(2)5-8(12)13/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyYDDFNCPNEXREFO-UHFFFAOYSA-N
XLogP0.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethylcarbamoyl(methyl)amino]acetic acid?
The IUPAC name of 2-[1-cyclopropylethylcarbamoyl(methyl)amino]acetic acid (CID 43533689) is 2-[1-cyclopropylethylcarbamoyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[1-cyclopropylethylcarbamoyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[1-cyclopropylethylcarbamoyl(methyl)amino]acetic acid is CC(NC(=O)N(C)CC(=O)O)C1CC1.
What is the InChIKey of 2-[1-cyclopropylethylcarbamoyl(methyl)amino]acetic acid?
The InChIKey is YDDFNCPNEXREFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(7-3-4-7)10-9(14)11(2)5-8(12)13/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13).
What are the key properties of 2-[1-cyclopropylethylcarbamoyl(methyl)amino]acetic acid?
2-[1-cyclopropylethylcarbamoyl(methyl)amino]acetic acid has a molecular weight of 200.24 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethylcarbamoyl(methyl)amino]acetic acid is sourced from PubChem (CID 43533689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).