2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid

C13H16N2O3 — CID 62696020

IUPAC2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid
SMILESO=C(CNc1ccccc1)NC(C(=O)O)C1CC1
InChIInChI=1S/C13H16N2O3/c16-11(8-14-10-4-2-1-3-5-10)15-12(13(17)18)9-6-7-9/h1-5,9,12,14H,6-8H2,(H,15,16)(H,17,18)
InChIKeyWEXUMGIUDANQCU-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.08
Rot. Bonds6

About 2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid

2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid (PubChem CID 62696020) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid
PubChem CID62696020
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid
SMILESO=C(CNc1ccccc1)NC(C(=O)O)C1CC1
InChIInChI=1S/C13H16N2O3/c16-11(8-14-10-4-2-1-3-5-10)15-12(13(17)18)9-6-7-9/h1-5,9,12,14H,6-8H2,(H,15,16)(H,17,18)
InChIKeyWEXUMGIUDANQCU-UHFFFAOYSA-N
XLogP1.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid (CID 62696020) is 2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid is O=C(CNc1ccccc1)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid?
The InChIKey is WEXUMGIUDANQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-11(8-14-10-4-2-1-3-5-10)15-12(13(17)18)9-6-7-9/h1-5,9,12,14H,6-8H2,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid?
2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid has a molecular weight of 248.28 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62696020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).