3-[(2-butan-2-yloxypyridine-4-carbonyl)-cyclopropylamino]-2-methylpropanoic acid

C17H24N2O4 — CID 120535265

IUPAC3-[(2-butan-2-yloxypyridine-4-carbonyl)-cyclopropylamino]-2-methylpropanoic acid
SMILESCCC(C)Oc1cc(C(=O)N(CC(C)C(=O)O)C2CC2)ccn1
InChIInChI=1S/C17H24N2O4/c1-4-12(3)23-15-9-13(7-8-18-15)16(20)19(14-5-6-14)10-11(2)17(21)22/h7-9,11-12,14H,4-6,10H2,1-3H3,(H,21,22)
InChIKeyPYVZOUBCHCTGBX-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.58
Rot. Bonds8

About 3-[(2-butan-2-yloxypyridine-4-carbonyl)-cyclopropylamino]-2-methylpropanoic acid

3-[(2-butan-2-yloxypyridine-4-carbonyl)-cyclopropylamino]-2-methylpropanoic acid (PubChem CID 120535265) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-[(2-butan-2-yloxypyridine-4-carbonyl)-cyclopropylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-butan-2-yloxypyridine-4-carbonyl)-cyclopropylamino]-2-methylpropanoic acid
PubChem CID120535265
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name3-[(2-butan-2-yloxypyridine-4-carbonyl)-cyclopropylamino]-2-methylpropanoic acid
SMILESCCC(C)Oc1cc(C(=O)N(CC(C)C(=O)O)C2CC2)ccn1
InChIInChI=1S/C17H24N2O4/c1-4-12(3)23-15-9-13(7-8-18-15)16(20)19(14-5-6-14)10-11(2)17(21)22/h7-9,11-12,14H,4-6,10H2,1-3H3,(H,21,22)
InChIKeyPYVZOUBCHCTGBX-UHFFFAOYSA-N
XLogP2.58
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropyl-(3,4-dimethylbenzoyl)amino]-2-methylpropanoic acid
CID 82325036
(2R)-3-[cyclopropyl-(3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 95539938
1-[2-[(2-butan-2-yloxypyridine-4-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525498
3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid
CID 120689451
3-[(2-butan-2-yloxy-4-pyridinyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122009244
2-butan-2-yloxy-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 86782770
(2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 95540195
(2S)-3-[cyclopropyl-(3-fluoro-4-methylbenzoyl)amino]-2-methylpropanoic acid
CID 124691127
3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 91660011
3-[cyclopropyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]-2-methylpropanoic acid
CID 120535398
2-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 60749864
(2R)-1-(2-butan-2-yloxypyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120537390

Frequently Asked Questions

What is the IUPAC name of 3-[(2-butan-2-yloxypyridine-4-carbonyl)-cyclopropylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-butan-2-yloxypyridine-4-carbonyl)-cyclopropylamino]-2-methylpropanoic acid (CID 120535265) is 3-[(2-butan-2-yloxypyridine-4-carbonyl)-cyclopropylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-butan-2-yloxypyridine-4-carbonyl)-cyclopropylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-butan-2-yloxypyridine-4-carbonyl)-cyclopropylamino]-2-methylpropanoic acid is CCC(C)Oc1cc(C(=O)N(CC(C)C(=O)O)C2CC2)ccn1.
What is the InChIKey of 3-[(2-butan-2-yloxypyridine-4-carbonyl)-cyclopropylamino]-2-methylpropanoic acid?
The InChIKey is PYVZOUBCHCTGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-4-12(3)23-15-9-13(7-8-18-15)16(20)19(14-5-6-14)10-11(2)17(21)22/h7-9,11-12,14H,4-6,10H2,1-3H3,(H,21,22).
What are the key properties of 3-[(2-butan-2-yloxypyridine-4-carbonyl)-cyclopropylamino]-2-methylpropanoic acid?
3-[(2-butan-2-yloxypyridine-4-carbonyl)-cyclopropylamino]-2-methylpropanoic acid has a molecular weight of 320.39 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-butan-2-yloxypyridine-4-carbonyl)-cyclopropylamino]-2-methylpropanoic acid is sourced from PubChem (CID 120535265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).