1-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid

C14H24N2O5 — CID 115443019

IUPAC1-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCOC(=O)C(C)NC(=O)NCC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C14H24N2O5/c1-9-4-6-14(7-5-9,12(18)19)8-15-13(20)16-10(2)11(17)21-3/h9-10H,4-8H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyOAMNCWKYDJGNDU-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.13
Rot. Bonds5

About 1-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid

1-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 115443019) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid
PubChem CID115443019
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name1-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCOC(=O)C(C)NC(=O)NCC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C14H24N2O5/c1-9-4-6-14(7-5-9,12(18)19)8-15-13(20)16-10(2)11(17)21-3/h9-10H,4-8H2,1-3H3,(H,18,19)(H2,15,16,20)
InChIKeyOAMNCWKYDJGNDU-UHFFFAOYSA-N
XLogP1.13
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-[(1-cyclopropylpropan-2-ylcarbamoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115443063
4-methyl-1-[(propan-2-yloxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115441052
4-methyl-1-[(2-methylbutylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115443043
1-[[(2-amino-3-methylbutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442601
4-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]oxane-4-carboxylic acid
CID 115440356
1-[[(4-amino-3-methylbutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442615
1-[[(2-amino-4-methoxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442622
1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 53397422
1-[[(2,2-dimethylcyclopropyl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115443035
1-[[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312463
1-[[(1-aminocyclopentanecarbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442649
1-[[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 103930383

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid (CID 115443019) is 1-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid is COC(=O)C(C)NC(=O)NCC1(C(=O)O)CCC(C)CC1.
What is the InChIKey of 1-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is OAMNCWKYDJGNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-9-4-6-14(7-5-9,12(18)19)8-15-13(20)16-10(2)11(17)21-3/h9-10H,4-8H2,1-3H3,(H,18,19)(H2,15,16,20).
What are the key properties of 1-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid?
1-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 115443019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).