2-[N-(1-cyclopropylpropan-2-ylcarbamoyl)-4-methylanilino]acetic acid

C16H22N2O3 — CID 63995347

IUPAC2-[N-(1-cyclopropylpropan-2-ylcarbamoyl)-4-methylanilino]acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)NC(C)CC2CC2)cc1
InChIInChI=1S/C16H22N2O3/c1-11-3-7-14(8-4-11)18(10-15(19)20)16(21)17-12(2)9-13-5-6-13/h3-4,7-8,12-13H,5-6,9-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyBGLNAZMBLMASEK-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.78
Rot. Bonds6

About 2-[N-(1-cyclopropylpropan-2-ylcarbamoyl)-4-methylanilino]acetic acid

2-[N-(1-cyclopropylpropan-2-ylcarbamoyl)-4-methylanilino]acetic acid (PubChem CID 63995347) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[N-(1-cyclopropylpropan-2-ylcarbamoyl)-4-methylanilino]acetic acid.

Molecular Properties

Compound Name2-[N-(1-cyclopropylpropan-2-ylcarbamoyl)-4-methylanilino]acetic acid
PubChem CID63995347
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[N-(1-cyclopropylpropan-2-ylcarbamoyl)-4-methylanilino]acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)NC(C)CC2CC2)cc1
InChIInChI=1S/C16H22N2O3/c1-11-3-7-14(8-4-11)18(10-15(19)20)16(21)17-12(2)9-13-5-6-13/h3-4,7-8,12-13H,5-6,9-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyBGLNAZMBLMASEK-UHFFFAOYSA-N
XLogP2.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(1-cyclopropylpropan-2-ylcarbamoyl)-4-methylanilino]acetic acid?
The IUPAC name of 2-[N-(1-cyclopropylpropan-2-ylcarbamoyl)-4-methylanilino]acetic acid (CID 63995347) is 2-[N-(1-cyclopropylpropan-2-ylcarbamoyl)-4-methylanilino]acetic acid.
What is the SMILES notation for 2-[N-(1-cyclopropylpropan-2-ylcarbamoyl)-4-methylanilino]acetic acid?
The canonical SMILES for 2-[N-(1-cyclopropylpropan-2-ylcarbamoyl)-4-methylanilino]acetic acid is Cc1ccc(N(CC(=O)O)C(=O)NC(C)CC2CC2)cc1.
What is the InChIKey of 2-[N-(1-cyclopropylpropan-2-ylcarbamoyl)-4-methylanilino]acetic acid?
The InChIKey is BGLNAZMBLMASEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-3-7-14(8-4-11)18(10-15(19)20)16(21)17-12(2)9-13-5-6-13/h3-4,7-8,12-13H,5-6,9-10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-[N-(1-cyclopropylpropan-2-ylcarbamoyl)-4-methylanilino]acetic acid?
2-[N-(1-cyclopropylpropan-2-ylcarbamoyl)-4-methylanilino]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(1-cyclopropylpropan-2-ylcarbamoyl)-4-methylanilino]acetic acid is sourced from PubChem (CID 63995347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).