4-[(1-hydroxy-2,2-dimethylcyclopentyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid

C16H28N2O4 — CID 122024696

IUPAC4-[(1-hydroxy-2,2-dimethylcyclopentyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC1(C)CCCC1(O)CNC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H28N2O4/c1-15(2)8-3-9-16(15,22)10-17-14(21)18-12-6-4-11(5-7-12)13(19)20/h11-12,22H,3-10H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyOUNIERWJJOJBBK-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.87
Rot. Bonds4

About 4-[(1-hydroxy-2,2-dimethylcyclopentyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid

4-[(1-hydroxy-2,2-dimethylcyclopentyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122024696) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-[(1-hydroxy-2,2-dimethylcyclopentyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-hydroxy-2,2-dimethylcyclopentyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122024696
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name4-[(1-hydroxy-2,2-dimethylcyclopentyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC1(C)CCCC1(O)CNC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H28N2O4/c1-15(2)8-3-9-16(15,22)10-17-14(21)18-12-6-4-11(5-7-12)13(19)20/h11-12,22H,3-10H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyOUNIERWJJOJBBK-UHFFFAOYSA-N
XLogP1.87
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 105419513
cis-(1R,3S)-3-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106320224
cis-(1R,3S)-3-[(1-ethylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173120
cis-(1R,3S)-3-[(2-methyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173028
4-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006589
3-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114117009
1-cyclopropyl-3-[[1-(methylaminomethyl)cyclobutyl]methyl]urea
CID 115267566
1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea
CID 103735099
4-(3-methylbut-2-enylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 106191136
4-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61183538
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 79381463
4-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122008314

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-2,2-dimethylcyclopentyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-hydroxy-2,2-dimethylcyclopentyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid (CID 122024696) is 4-[(1-hydroxy-2,2-dimethylcyclopentyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-hydroxy-2,2-dimethylcyclopentyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-hydroxy-2,2-dimethylcyclopentyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid is CC1(C)CCCC1(O)CNC(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(1-hydroxy-2,2-dimethylcyclopentyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is OUNIERWJJOJBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-15(2)8-3-9-16(15,22)10-17-14(21)18-12-6-4-11(5-7-12)13(19)20/h11-12,22H,3-10H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 4-[(1-hydroxy-2,2-dimethylcyclopentyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
4-[(1-hydroxy-2,2-dimethylcyclopentyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 312.41 g/mol, XLogP of 1.87, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-2,2-dimethylcyclopentyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122024696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).