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

C14H26N2O4 — CID 103968112

IUPAC3-hydroxy-2-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid
SMILESCC1(C)CC(NC(=O)NC(CO)C(=O)O)CC(C)(C)C1
InChIInChI=1S/C14H26N2O4/c1-13(2)5-9(6-14(3,4)8-13)15-12(20)16-10(7-17)11(18)19/h9-10,17H,5-8H2,1-4H3,(H,18,19)(H2,15,16,20)
InChIKeyZJNDMLHZBSEEEW-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.34
Rot. Bonds4

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

3-hydroxy-2-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid (PubChem CID 103968112) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-hydroxy-2-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid
PubChem CID103968112
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-hydroxy-2-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid
SMILESCC1(C)CC(NC(=O)NC(CO)C(=O)O)CC(C)(C)C1
InChIInChI=1S/C14H26N2O4/c1-13(2)5-9(6-14(3,4)8-13)15-12(20)16-10(7-17)11(18)19/h9-10,17H,5-8H2,1-4H3,(H,18,19)(H2,15,16,20)
InChIKeyZJNDMLHZBSEEEW-UHFFFAOYSA-N
XLogP1.34
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2,2-dimethylcyclopropyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755976
(2S)-3-hydroxy-2-[(3-methylcyclobutyl)carbamoylamino]propanoic acid
CID 104861581
(2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 83028517
3-hydroxy-2-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]butanoic acid
CID 103968063
2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid
CID 103968092
(2S)-3-hydroxy-2-[(3-methylcyclopentyl)carbamoylamino]propanoic acid
CID 104937677
(2S)-2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxypropanoic acid
CID 54955301
(2R)-3-hydroxy-2-(oxan-4-ylcarbamoylamino)propanoic acid
CID 80756963
2-[(1,1-dioxothian-4-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 61201461
2,3-dimethyl-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid
CID 103499115
3-amino-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid
CID 103966570
3-oxo-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 103968332

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid (CID 103968112) is 3-hydroxy-2-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid is CC1(C)CC(NC(=O)NC(CO)C(=O)O)CC(C)(C)C1.
What is the InChIKey of 3-hydroxy-2-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid?
The InChIKey is ZJNDMLHZBSEEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-13(2)5-9(6-14(3,4)8-13)15-12(20)16-10(7-17)11(18)19/h9-10,17H,5-8H2,1-4H3,(H,18,19)(H2,15,16,20).
What are the key properties of 3-hydroxy-2-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid?
3-hydroxy-2-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 103968112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).