2-[3-methoxy-1-(propylamino)cyclohexyl]acetic acid

C12H23NO3 — CID 106874590

IUPAC2-[3-methoxy-1-(propylamino)cyclohexyl]acetic acid
SMILESCCCNC1(CC(=O)O)CCCC(OC)C1
InChIInChI=1S/C12H23NO3/c1-3-7-13-12(9-11(14)15)6-4-5-10(8-12)16-2/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyHBBWNKMBYXSJMZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.79
Rot. Bonds6

About 2-[3-methoxy-1-(propylamino)cyclohexyl]acetic acid

2-[3-methoxy-1-(propylamino)cyclohexyl]acetic acid (PubChem CID 106874590) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[3-methoxy-1-(propylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[3-methoxy-1-(propylamino)cyclohexyl]acetic acid
PubChem CID106874590
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-[3-methoxy-1-(propylamino)cyclohexyl]acetic acid
SMILESCCCNC1(CC(=O)O)CCCC(OC)C1
InChIInChI=1S/C12H23NO3/c1-3-7-13-12(9-11(14)15)6-4-5-10(8-12)16-2/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyHBBWNKMBYXSJMZ-UHFFFAOYSA-N
XLogP1.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine
CID 106872430
2-[3-ethyl-1-(propylamino)cyclopentyl]acetic acid
CID 65233526
methyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate
CID 106824514
[3-pentoxy-1-(propylamino)cyclohexyl]methanol
CID 79641151
ethyl 3-methoxy-1-(propylamino)cyclohexane-1-carboxylate
CID 79637630
methyl 2-[3-propan-2-yl-1-(propylamino)cyclohexyl]acetate
CID 107450553
2-(1-amino-3-methoxycyclohexyl)acetic acid
CID 106874447
2-[3-methyl-1-(propylamino)cyclohexyl]acetamide
CID 65236102
ethyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate
CID 106824510
ethyl 2-[4-methoxy-1-(propylamino)cyclohexyl]acetate
CID 113414624
[3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640901
[3-(3-methylcyclohexyl)oxy-1-(propylamino)cyclohexyl]methanol
CID 79640737

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-1-(propylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[3-methoxy-1-(propylamino)cyclohexyl]acetic acid (CID 106874590) is 2-[3-methoxy-1-(propylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[3-methoxy-1-(propylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[3-methoxy-1-(propylamino)cyclohexyl]acetic acid is CCCNC1(CC(=O)O)CCCC(OC)C1.
What is the InChIKey of 2-[3-methoxy-1-(propylamino)cyclohexyl]acetic acid?
The InChIKey is HBBWNKMBYXSJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-7-13-12(9-11(14)15)6-4-5-10(8-12)16-2/h10,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[3-methoxy-1-(propylamino)cyclohexyl]acetic acid?
2-[3-methoxy-1-(propylamino)cyclohexyl]acetic acid has a molecular weight of 229.32 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-1-(propylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 106874590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).