2-cyclopropyl-2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid

C15H18N2O4 — CID 119213461

IUPAC2-cyclopropyl-2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid
SMILESCc1c(C(=O)NC(C(=O)O)C2CC2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C15H18N2O4/c1-7-11-9(3-2-4-10(11)18)16-12(7)14(19)17-13(15(20)21)8-5-6-8/h8,13,16H,2-6H2,1H3,(H,17,19)(H,20,21)
InChIKeyQMHSZEQYUSZNRD-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.44
Rot. Bonds4

About 2-cyclopropyl-2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid

2-cyclopropyl-2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid (PubChem CID 119213461) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid
PubChem CID119213461
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-cyclopropyl-2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid
SMILESCc1c(C(=O)NC(C(=O)O)C2CC2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C15H18N2O4/c1-7-11-9(3-2-4-10(11)18)16-12(7)14(19)17-13(15(20)21)8-5-6-8/h8,13,16H,2-6H2,1H3,(H,17,19)(H,20,21)
InChIKeyQMHSZEQYUSZNRD-UHFFFAOYSA-N
XLogP1.44
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid (CID 119213461) is 2-cyclopropyl-2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid is Cc1c(C(=O)NC(C(=O)O)C2CC2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 2-cyclopropyl-2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid?
The InChIKey is QMHSZEQYUSZNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-7-11-9(3-2-4-10(11)18)16-12(7)14(19)17-13(15(20)21)8-5-6-8/h8,13,16H,2-6H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-cyclopropyl-2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid?
2-cyclopropyl-2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 119213461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).