4-[[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid

C13H23N3O4 — CID 79532050

IUPAC4-[[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)(NC(=O)NCC1CCC(C(=O)O)CC1)C(N)=O
InChIInChI=1S/C13H23N3O4/c1-13(2,11(14)19)16-12(20)15-7-8-3-5-9(6-4-8)10(17)18/h8-9H,3-7H2,1-2H3,(H2,14,19)(H,17,18)(H2,15,16,20)
InChIKeyWGITUWWTGPRHOY-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.44
Rot. Bonds5

About 4-[[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid

4-[[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79532050) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-[[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79532050
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name4-[[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)(NC(=O)NCC1CCC(C(=O)O)CC1)C(N)=O
InChIInChI=1S/C13H23N3O4/c1-13(2,11(14)19)16-12(20)15-7-8-3-5-9(6-4-8)10(17)18/h8-9H,3-7H2,1-2H3,(H2,14,19)(H,17,18)(H2,15,16,20)
InChIKeyWGITUWWTGPRHOY-UHFFFAOYSA-N
XLogP0.44
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-[[(3-amino-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79524780
4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 103018968
4-[(hexylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532469
4-[[(2-methylpropan-2-yl)oxymethylamino]methyl]cyclohexane-1-carboxylic acid
CID 151528355
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
2-methyl-2-(oxan-4-ylmethylcarbamoylamino)propanoic acid
CID 62385844
4-[(2-ethylbutylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 104963976
N-(1-amino-2-methyl-1-oxopropan-2-yl)cyclopropanecarboxamide
CID 61226670
tert-butyl N-[[4-(hydrazinecarbonyl)cyclohexyl]methyl]carbamate;4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylic acid
CID 159364298
4-[[(2-amino-3-methoxypropanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 81101967
2-methyl-2-[(2-methylcyclopropyl)methylcarbamoylamino]propanoic acid
CID 103995921
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid (CID 79532050) is 4-[[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid is CC(C)(NC(=O)NCC1CCC(C(=O)O)CC1)C(N)=O.
What is the InChIKey of 4-[[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is WGITUWWTGPRHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-13(2,11(14)19)16-12(20)15-7-8-3-5-9(6-4-8)10(17)18/h8-9H,3-7H2,1-2H3,(H2,14,19)(H,17,18)(H2,15,16,20).
What are the key properties of 4-[[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid?
4-[[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 0.44, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79532050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).