4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexane-1-carboxylic acid

C13H23NO4 — CID 103018968

IUPAC4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCOC(C)(C)C(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C13H23NO4/c1-13(2,18-3)12(17)14-8-9-4-6-10(7-5-9)11(15)16/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyMDRWTLQHJLNXCW-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.42
Rot. Bonds5

About 4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexane-1-carboxylic acid

4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 103018968) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID103018968
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCOC(C)(C)C(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C13H23NO4/c1-13(2,18-3)12(17)14-8-9-4-6-10(7-5-9)11(15)16/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyMDRWTLQHJLNXCW-UHFFFAOYSA-N
XLogP1.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxycyclohexyl)methyl]-2-methoxy-2-methylpropanamide
CID 106123782
N-[(3-aminocyclohexyl)methyl]-2-methoxy-2-methylpropanamide
CID 106123178
4-[(3-methoxyprop-1-en-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 142509197
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxy-2-methylpropanamide
CID 103021126
N-[(2-hydroxycyclopentyl)methyl]-2-methoxy-2-methylpropanamide
CID 103708572
2-methoxy-2-methyl-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107420812
N-[(2-aminocyclopentyl)methyl]-2-methoxy-2-methylpropanamide
CID 103022530
4-[[(3-amino-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79524780
4-[(3-methoxypropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 79526283
4-[[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532050
N-(2-cyclobutylethyl)-2-methoxy-2-methylpropanamide
CID 103747323

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 103018968) is 4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexane-1-carboxylic acid is COC(C)(C)C(=O)NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is MDRWTLQHJLNXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-13(2,18-3)12(17)14-8-9-4-6-10(7-5-9)11(15)16/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103018968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).