2-[butan-2-yl-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetic acid

C17H21N3O4 — CID 119954747

IUPAC2-[butan-2-yl-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1cc(C2CC2)nc2onc(C)c12
InChIInChI=1S/C17H21N3O4/c1-4-9(2)20(8-14(21)22)17(23)12-7-13(11-5-6-11)18-16-15(12)10(3)19-24-16/h7,9,11H,4-6,8H2,1-3H3,(H,21,22)
InChIKeyWBZGQIPQPNFGRO-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.73
Rot. Bonds6

About 2-[butan-2-yl-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetic acid

2-[butan-2-yl-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetic acid (PubChem CID 119954747) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[butan-2-yl-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetic acid
PubChem CID119954747
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-[butan-2-yl-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1cc(C2CC2)nc2onc(C)c12
InChIInChI=1S/C17H21N3O4/c1-4-9(2)20(8-14(21)22)17(23)12-7-13(11-5-6-11)18-16-15(12)10(3)19-24-16/h7,9,11H,4-6,8H2,1-3H3,(H,21,22)
InChIKeyWBZGQIPQPNFGRO-UHFFFAOYSA-N
XLogP2.73
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[butan-2-yl-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetic acid with MolForge

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Related Compounds

3-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]-2-methylpropanoic acid
CID 119227789
6-cyclopropyl-N-(2-hydroxyethyl)-3-methyl-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 110887145
6-cyclopropyl-N,3-dimethyl-N-(4-methylcyclohexyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 32918771
6-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51130319
2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]acetic acid
CID 119346057
6-cyclopropyl-N-[(2R)-2-(ethylamino)propyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120652981
6-cyclopropyl-3-methyl-N-[2-(methylamino)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120830455
6-cyclopropyl-N-ethyl-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821919
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 86776584
N-(3-amino-2,2-dimethylpropyl)-6-cyclopropyl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119656768
7-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]heptanoic acid
CID 119227173
N-(3-amino-2-methylpropyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119997760

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetic acid (CID 119954747) is 2-[butan-2-yl-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)c1cc(C2CC2)nc2onc(C)c12.
What is the InChIKey of 2-[butan-2-yl-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetic acid?
The InChIKey is WBZGQIPQPNFGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-4-9(2)20(8-14(21)22)17(23)12-7-13(11-5-6-11)18-16-15(12)10(3)19-24-16/h7,9,11H,4-6,8H2,1-3H3,(H,21,22).
What are the key properties of 2-[butan-2-yl-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetic acid?
2-[butan-2-yl-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetic acid has a molecular weight of 331.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 119954747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).