1-methyl-2-[(2S)-4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid

C22H32N2O4 — CID 167659976

About 1-methyl-2-[(2S)-4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid

1-methyl-2-[(2S)-4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid (PubChem CID 167659976) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-methyl-2-[(2S)-4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: 1-methyl-2-[(2S)-4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid
• PubChem CID: 167659976
• Molecular Formula: C22H32N2O4
• Molecular Weight: 388.51 g/mol
• Exact Mass: 388.24
• IUPAC Name: 1-methyl-2-[(2S)-4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid
• SMILES: CC1CCC(COc2cncc(N3CCO[C@@H](C4CC4(C)C(=O)O)C3)c2)CC1
• InChI: InChI=1S/C22H32N2O4/c1-15-3-5-16(6-4-15)14-28-18-9-17(11-23-12-18)24-7-8-27-20(13-24)19-10-22(19,2)21(25)26/h9,11-12,15-16,19-20H,3-8,10,13-14H2,1-2H3,(H,25,26)/t15?,16?,19?,20-,22?/m1/s1
• InChIKey: BLTZVTVHLXTABV-NETROJPTSA-N
• XLogP: 3.60
• TPSA: 71.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.51
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(2S)-4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid?

The IUPAC name of 1-methyl-2-[(2S)-4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid (CID 167659976) is 1-methyl-2-[(2S)-4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid.

What is the SMILES notation for 1-methyl-2-[(2S)-4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid?

The canonical SMILES for 1-methyl-2-[(2S)-4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid is CC1CCC(COc2cncc(N3CCO[C@@H](C4CC4(C)C(=O)O)C3)c2)CC1.

What is the InChIKey of 1-methyl-2-[(2S)-4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid?

The InChIKey is BLTZVTVHLXTABV-NETROJPTSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-15-3-5-16(6-4-15)14-28-18-9-17(11-23-12-18)24-7-8-27-20(13-24)19-10-22(19,2)21(25)26/h9,11-12,15-16,19-20H,3-8,10,13-14H2,1-2H3,(H,25,26)/t15?,16?,19?,20-,22?/m1/s1.

What are the key properties of 1-methyl-2-[(2S)-4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid?

1-methyl-2-[(2S)-4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid has a molecular weight of 388.51 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-2-[(2S)-4-[5-[(4-methylcyclohexyl)methoxy]-3-pyridinyl]morpholin-2-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 167659976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).