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

C14H25NO4 — CID 114105255

IUPAC2-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCC(C)(OC)C(=O)NCC1CCCCC1C(=O)O
InChIInChI=1S/C14H25NO4/c1-4-14(2,19-3)13(18)15-9-10-7-5-6-8-11(10)12(16)17/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyPFTCTXOCNHJULS-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.81
Rot. Bonds6

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

2-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 114105255) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID114105255
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCC(C)(OC)C(=O)NCC1CCCCC1C(=O)O
InChIInChI=1S/C14H25NO4/c1-4-14(2,19-3)13(18)15-9-10-7-5-6-8-11(10)12(16)17/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyPFTCTXOCNHJULS-UHFFFAOYSA-N
XLogP1.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 104763909
N-[(3-hydroxycyclohexyl)methyl]-2-methoxy-2-methylbutanamide
CID 114094384
2-[[(2-amino-3-hydroxy-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 164549534
2-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 103034722
2-[[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 66477997
trans-(1S,2R)-2-[[(2-cyanoacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108755758
2-methoxy-2-methyl-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107420812
2-[(but-2-enoylamino)methyl]cyclohexane-1-carboxylic acid
CID 77103475
trans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 178193521
2-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 83199902
2-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79290747
2-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79203111

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 114105255) is 2-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid is CCC(C)(OC)C(=O)NCC1CCCCC1C(=O)O.
What is the InChIKey of 2-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is PFTCTXOCNHJULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-14(2,19-3)13(18)15-9-10-7-5-6-8-11(10)12(16)17/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid?
2-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114105255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).