(2R,6R)-4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylic acid

C22H30N2O3 — CID 175227280

IUPAC(2R,6R)-4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCc1cc(N)c(OC(C)C)cc1C1=C[C@@H](C2CC2)N(C(=O)O)[C@@H](C2CC2)C1
InChIInChI=1S/C22H30N2O3/c1-12(2)27-21-11-17(13(3)8-18(21)23)16-9-19(14-4-5-14)24(22(25)26)20(10-16)15-6-7-15/h8-9,11-12,14-15,19-20H,4-7,10,23H2,1-3H3,(H,25,26)/t19-,20+/m0/s1
InChIKeyJYQZSMUGULMVJF-VQTJNVASSA-N
MW370.49 g/mol
LogP4.69
Rot. Bonds5

About (2R,6R)-4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylic acid

(2R,6R)-4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 175227280) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is (2R,6R)-4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,6R)-4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID175227280
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name(2R,6R)-4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCc1cc(N)c(OC(C)C)cc1C1=C[C@@H](C2CC2)N(C(=O)O)[C@@H](C2CC2)C1
InChIInChI=1S/C22H30N2O3/c1-12(2)27-21-11-17(13(3)8-18(21)23)16-9-19(14-4-5-14)24(22(25)26)20(10-16)15-6-7-15/h8-9,11-12,14-15,19-20H,4-7,10,23H2,1-3H3,(H,25,26)/t19-,20+/m0/s1
InChIKeyJYQZSMUGULMVJF-VQTJNVASSA-N
XLogP4.69
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of (2R,6R)-4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 175227280) is (2R,6R)-4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for (2R,6R)-4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for (2R,6R)-4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylic acid is Cc1cc(N)c(OC(C)C)cc1C1=C[C@@H](C2CC2)N(C(=O)O)[C@@H](C2CC2)C1.
What is the InChIKey of (2R,6R)-4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is JYQZSMUGULMVJF-VQTJNVASSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-12(2)27-21-11-17(13(3)8-18(21)23)16-9-19(14-4-5-14)24(22(25)26)20(10-16)15-6-7-15/h8-9,11-12,14-15,19-20H,4-7,10,23H2,1-3H3,(H,25,26)/t19-,20+/m0/s1.
What are the key properties of (2R,6R)-4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
(2R,6R)-4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 370.49 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-(4-amino-2-methyl-5-propan-2-yloxyphenyl)-2,6-dicyclopropyl-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 175227280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).