2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid

C15H28N2O4 — CID 107473872

IUPAC2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(CNC(=O)NC1CCC(O)CC1)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-15(2,3)8-10(13(19)20)9-16-14(21)17-11-4-6-12(18)7-5-11/h10-12,18H,4-9H2,1-3H3,(H,19,20)(H2,16,17,21)
InChIKeyBBXUDGVOPYPCIA-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.73
Rot. Bonds5

About 2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid

2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid (PubChem CID 107473872) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
PubChem CID107473872
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(CNC(=O)NC1CCC(O)CC1)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-15(2,3)8-10(13(19)20)9-16-14(21)17-11-4-6-12(18)7-5-11/h10-12,18H,4-9H2,1-3H3,(H,19,20)(H2,16,17,21)
InChIKeyBBXUDGVOPYPCIA-UHFFFAOYSA-N
XLogP1.73
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid with MolForge

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Related Compounds

2-[(cycloheptylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473950
1-(2-amino-4,4-dimethylpentyl)-3-cyclopropylurea
CID 107158915
2-[[(2,2-dimethylcyclopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474536
2-[(cyclopentylmethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473976
4,4-dimethyl-2-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]pentanoic acid
CID 107474794
4,4-dimethyl-2-[(2-methylbutan-2-ylcarbamoylamino)methyl]pentanoic acid
CID 107473764
2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473827
4,4-dimethyl-2-[(3-methylpentan-3-ylcarbamoylamino)methyl]pentanoic acid
CID 106330622
2-[(2,2-dimethylpropanoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473759
1-(2-ethylhexyl)-3-(4-hydroxycyclohexyl)urea
CID 75885262
1-(4-hydroxycyclohexyl)-3-prop-2-enylurea
CID 130701517
4,4-dimethyl-2-[[(3-methyloxolane-2-carbonyl)amino]methyl]pentanoic acid
CID 107474033

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid (CID 107473872) is 2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid is CC(C)(C)CC(CNC(=O)NC1CCC(O)CC1)C(=O)O.
What is the InChIKey of 2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid?
The InChIKey is BBXUDGVOPYPCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-15(2,3)8-10(13(19)20)9-16-14(21)17-11-4-6-12(18)7-5-11/h10-12,18H,4-9H2,1-3H3,(H,19,20)(H2,16,17,21).
What are the key properties of 2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid?
2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 107473872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).