2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetic acid

C14H16N2O3 — CID 76894224

IUPAC2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C1Cc2ccccc2N1)C1CC1
InChIInChI=1S/C14H16N2O3/c17-13(18)8-16(10-5-6-10)14(19)12-7-9-3-1-2-4-11(9)15-12/h1-4,10,12,15H,5-8H2,(H,17,18)
InChIKeyCOJSNUBWNOOPRP-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.10
Rot. Bonds4

About 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetic acid

2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetic acid (PubChem CID 76894224) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetic acid
PubChem CID76894224
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C1Cc2ccccc2N1)C1CC1
InChIInChI=1S/C14H16N2O3/c17-13(18)8-16(10-5-6-10)14(19)12-7-9-3-1-2-4-11(9)15-12/h1-4,10,12,15H,5-8H2,(H,17,18)
InChIKeyCOJSNUBWNOOPRP-UHFFFAOYSA-N
XLogP1.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetic acid (CID 76894224) is 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetic acid is O=C(O)CN(C(=O)C1Cc2ccccc2N1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetic acid?
The InChIKey is COJSNUBWNOOPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13(18)8-16(10-5-6-10)14(19)12-7-9-3-1-2-4-11(9)15-12/h1-4,10,12,15H,5-8H2,(H,17,18).
What are the key properties of 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetic acid?
2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetic acid has a molecular weight of 260.29 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 76894224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).