2-[butan-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)amino]acetic acid

C14H21N3O3 — CID 120529830

IUPAC2-[butan-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1cnn2c1CCCC2
InChIInChI=1S/C14H21N3O3/c1-3-10(2)16(9-13(18)19)14(20)11-8-15-17-7-5-4-6-12(11)17/h8,10H,3-7,9H2,1-2H3,(H,18,19)
InChIKeyWIBDOVKCTPMVRD-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.54
Rot. Bonds5

About 2-[butan-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)amino]acetic acid

2-[butan-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)amino]acetic acid (PubChem CID 120529830) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[butan-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)amino]acetic acid
PubChem CID120529830
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[butan-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1cnn2c1CCCC2
InChIInChI=1S/C14H21N3O3/c1-3-10(2)16(9-13(18)19)14(20)11-8-15-17-7-5-4-6-12(11)17/h8,10H,3-7,9H2,1-2H3,(H,18,19)
InChIKeyWIBDOVKCTPMVRD-UHFFFAOYSA-N
XLogP1.54
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)amino]acetic acid (CID 120529830) is 2-[butan-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)c1cnn2c1CCCC2.
What is the InChIKey of 2-[butan-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)amino]acetic acid?
The InChIKey is WIBDOVKCTPMVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-10(2)16(9-13(18)19)14(20)11-8-15-17-7-5-4-6-12(11)17/h8,10H,3-7,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[butan-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)amino]acetic acid?
2-[butan-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)amino]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 120529830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).