1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid

C12H21NO4 — CID 62590402

IUPAC1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid
SMILESCOCCC(=O)NC1(C(=O)O)CCCCC1C
InChIInChI=1S/C12H21NO4/c1-9-5-3-4-7-12(9,11(15)16)13-10(14)6-8-17-2/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyYVUDAARVPKBFAM-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.17
Rot. Bonds5

About 1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid

1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid (PubChem CID 62590402) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid
PubChem CID62590402
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid
SMILESCOCCC(=O)NC1(C(=O)O)CCCCC1C
InChIInChI=1S/C12H21NO4/c1-9-5-3-4-7-12(9,11(15)16)13-10(14)6-8-17-2/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyYVUDAARVPKBFAM-UHFFFAOYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61295410
2-methyl-1-(pentanoylamino)cyclohexane-1-carboxylic acid
CID 61293760
1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849
1-acetamido-2-methylcyclohexane-1-carboxylic acid
CID 61292640
1-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294871
1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 61293575
1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 61292847
1-[3-(2-methoxyethoxy)propanoylamino]cycloheptane-1-carboxylic acid
CID 120539104
1-[(4-iodobenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294307
1-[(4-hydroxybenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61293759
1-[[2-(2-chlorophenyl)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294678
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methoxybutanamide
CID 115308528

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid (CID 62590402) is 1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid is COCCC(=O)NC1(C(=O)O)CCCCC1C.
What is the InChIKey of 1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is YVUDAARVPKBFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-9-5-3-4-7-12(9,11(15)16)13-10(14)6-8-17-2/h9H,3-8H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid?
1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 62590402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).