4-[(3-methoxyprop-1-en-2-ylamino)methyl]cyclohexane-1-carboxylic acid

C12H21NO3 — CID 142509197

IUPAC4-[(3-methoxyprop-1-en-2-ylamino)methyl]cyclohexane-1-carboxylic acid
SMILESC=C(COC)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C12H21NO3/c1-9(8-16-2)13-7-10-3-5-11(6-4-10)12(14)15/h10-11,13H,1,3-8H2,2H3,(H,14,15)
InChIKeyGJDDFHBJSFRGFJ-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.63
Rot. Bonds6

About 4-[(3-methoxyprop-1-en-2-ylamino)methyl]cyclohexane-1-carboxylic acid

4-[(3-methoxyprop-1-en-2-ylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 142509197) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-[(3-methoxyprop-1-en-2-ylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methoxyprop-1-en-2-ylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID142509197
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-[(3-methoxyprop-1-en-2-ylamino)methyl]cyclohexane-1-carboxylic acid
SMILESC=C(COC)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C12H21NO3/c1-9(8-16-2)13-7-10-3-5-11(6-4-10)12(14)15/h10-11,13H,1,3-8H2,2H3,(H,14,15)
InChIKeyGJDDFHBJSFRGFJ-UHFFFAOYSA-N
XLogP1.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methoxypropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 79526283
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
4-[(prop-2-enoylamino)methyl]cyclohexane-1-carboxylic acid
CID 18757083
4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 103018968
4-[[(2-amino-3-methoxypropanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 81101967
4-[[[2-(azetidin-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79525505
1-[4-[(but-1-en-2-ylamino)methyl]cyclohexyl]ethenol
CID 155442113
4-[(2-bromoprop-2-enylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532642
4-[(pentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 21470545
4-[(2-acetamidoethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532227
4-[[(3-amino-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79524780
4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63782948

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyprop-1-en-2-ylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-methoxyprop-1-en-2-ylamino)methyl]cyclohexane-1-carboxylic acid (CID 142509197) is 4-[(3-methoxyprop-1-en-2-ylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-methoxyprop-1-en-2-ylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-methoxyprop-1-en-2-ylamino)methyl]cyclohexane-1-carboxylic acid is C=C(COC)NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(3-methoxyprop-1-en-2-ylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is GJDDFHBJSFRGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(8-16-2)13-7-10-3-5-11(6-4-10)12(14)15/h10-11,13H,1,3-8H2,2H3,(H,14,15).
What are the key properties of 4-[(3-methoxyprop-1-en-2-ylamino)methyl]cyclohexane-1-carboxylic acid?
4-[(3-methoxyprop-1-en-2-ylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyprop-1-en-2-ylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 142509197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).