2-[cyclopropyl-(1-methylindole-2-carbonyl)amino]acetic acid

C15H16N2O3 — CID 119194680

IUPAC2-[cyclopropyl-(1-methylindole-2-carbonyl)amino]acetic acid
SMILESCn1c(C(=O)N(CC(=O)O)C2CC2)cc2ccccc21
InChIInChI=1S/C15H16N2O3/c1-16-12-5-3-2-4-10(12)8-13(16)15(20)17(9-14(18)19)11-6-7-11/h2-5,8,11H,6-7,9H2,1H3,(H,18,19)
InChIKeyXVUAAOPTSQPYCC-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.87
Rot. Bonds4

About 2-[cyclopropyl-(1-methylindole-2-carbonyl)amino]acetic acid

2-[cyclopropyl-(1-methylindole-2-carbonyl)amino]acetic acid (PubChem CID 119194680) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[cyclopropyl-(1-methylindole-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(1-methylindole-2-carbonyl)amino]acetic acid
PubChem CID119194680
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[cyclopropyl-(1-methylindole-2-carbonyl)amino]acetic acid
SMILESCn1c(C(=O)N(CC(=O)O)C2CC2)cc2ccccc21
InChIInChI=1S/C15H16N2O3/c1-16-12-5-3-2-4-10(12)8-13(16)15(20)17(9-14(18)19)11-6-7-11/h2-5,8,11H,6-7,9H2,1H3,(H,18,19)
InChIKeyXVUAAOPTSQPYCC-UHFFFAOYSA-N
XLogP1.87
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(1-methylindole-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(1-methylindole-2-carbonyl)amino]acetic acid (CID 119194680) is 2-[cyclopropyl-(1-methylindole-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(1-methylindole-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(1-methylindole-2-carbonyl)amino]acetic acid is Cn1c(C(=O)N(CC(=O)O)C2CC2)cc2ccccc21.
What is the InChIKey of 2-[cyclopropyl-(1-methylindole-2-carbonyl)amino]acetic acid?
The InChIKey is XVUAAOPTSQPYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-16-12-5-3-2-4-10(12)8-13(16)15(20)17(9-14(18)19)11-6-7-11/h2-5,8,11H,6-7,9H2,1H3,(H,18,19).
What are the key properties of 2-[cyclopropyl-(1-methylindole-2-carbonyl)amino]acetic acid?
2-[cyclopropyl-(1-methylindole-2-carbonyl)amino]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(1-methylindole-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 119194680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).