2-[cinnolin-4-yl(cyclopropylmethyl)amino]acetic acid

C14H15N3O2 — CID 63588247

IUPAC2-[cinnolin-4-yl(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)c1cnnc2ccccc12
InChIInChI=1S/C14H15N3O2/c18-14(19)9-17(8-10-5-6-10)13-7-15-16-12-4-2-1-3-11(12)13/h1-4,7,10H,5-6,8-9H2,(H,18,19)
InChIKeyHGTZDBNOSJQTQE-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.93
Rot. Bonds5

About 2-[cinnolin-4-yl(cyclopropylmethyl)amino]acetic acid

2-[cinnolin-4-yl(cyclopropylmethyl)amino]acetic acid (PubChem CID 63588247) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[cinnolin-4-yl(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cinnolin-4-yl(cyclopropylmethyl)amino]acetic acid
PubChem CID63588247
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-[cinnolin-4-yl(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)c1cnnc2ccccc12
InChIInChI=1S/C14H15N3O2/c18-14(19)9-17(8-10-5-6-10)13-7-15-16-12-4-2-1-3-11(12)13/h1-4,7,10H,5-6,8-9H2,(H,18,19)
InChIKeyHGTZDBNOSJQTQE-UHFFFAOYSA-N
XLogP1.93
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cinnolin-4-yl(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[cinnolin-4-yl(cyclopropylmethyl)amino]acetic acid (CID 63588247) is 2-[cinnolin-4-yl(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[cinnolin-4-yl(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[cinnolin-4-yl(cyclopropylmethyl)amino]acetic acid is O=C(O)CN(CC1CC1)c1cnnc2ccccc12.
What is the InChIKey of 2-[cinnolin-4-yl(cyclopropylmethyl)amino]acetic acid?
The InChIKey is HGTZDBNOSJQTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(19)9-17(8-10-5-6-10)13-7-15-16-12-4-2-1-3-11(12)13/h1-4,7,10H,5-6,8-9H2,(H,18,19).
What are the key properties of 2-[cinnolin-4-yl(cyclopropylmethyl)amino]acetic acid?
2-[cinnolin-4-yl(cyclopropylmethyl)amino]acetic acid has a molecular weight of 257.29 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cinnolin-4-yl(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 63588247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).