2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid

C15H28N2O3 — CID 103968092

IUPAC2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid
SMILESCC(CNC(=O)NC1CC(C)(C)CC(C)(C)C1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-10(12(18)19)8-16-13(20)17-11-6-14(2,3)9-15(4,5)7-11/h10-11H,6-9H2,1-5H3,(H,18,19)(H2,16,17,20)
InChIKeyRFTWHIAKKKJZTD-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.61
Rot. Bonds4

About 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid

2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid (PubChem CID 103968092) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid
PubChem CID103968092
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid
SMILESCC(CNC(=O)NC1CC(C)(C)CC(C)(C)C1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-10(12(18)19)8-16-13(20)17-11-6-14(2,3)9-15(4,5)7-11/h10-11H,6-9H2,1-5H3,(H,18,19)(H2,16,17,20)
InChIKeyRFTWHIAKKKJZTD-UHFFFAOYSA-N
XLogP2.61
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 103966158
3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid
CID 62670962
3-hydroxy-2-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid
CID 103968112
2-methyl-3-[methyl-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]amino]propanoic acid
CID 103968098
3-hydroxy-2-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]butanoic acid
CID 103968063
2,3-dimethyl-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid
CID 103499115
3-[(2,2-diethyloxan-4-yl)carbamoylamino]-2-methylpropanoic acid
CID 83028908
2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid
CID 65472991
3-oxo-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 103968332
(2R)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)propanamide;hydrochloride
CID 120874151
2-methyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]propanoic acid
CID 64669836
3-methyl-2-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide
CID 107034259

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid (CID 103968092) is 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid is CC(CNC(=O)NC1CC(C)(C)CC(C)(C)C1)C(=O)O.
What is the InChIKey of 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid?
The InChIKey is RFTWHIAKKKJZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10(12(18)19)8-16-13(20)17-11-6-14(2,3)9-15(4,5)7-11/h10-11H,6-9H2,1-5H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid?
2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 103968092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).