2-[(1-hydroxy-2-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid

C12H23NO3 — CID 57164631

IUPAC2-[(1-hydroxy-2-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCCC(C)(CO)NC1CCCCC1C(=O)O
InChIInChI=1S/C12H23NO3/c1-3-12(2,8-14)13-10-7-5-4-6-9(10)11(15)16/h9-10,13-14H,3-8H2,1-2H3,(H,15,16)
InChIKeyMMCIBHQTTSRRNY-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.38
Rot. Bonds5

About 2-[(1-hydroxy-2-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid

2-[(1-hydroxy-2-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 57164631) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[(1-hydroxy-2-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-hydroxy-2-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID57164631
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-[(1-hydroxy-2-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCCC(C)(CO)NC1CCCCC1C(=O)O
InChIInChI=1S/C12H23NO3/c1-3-12(2,8-14)13-10-7-5-4-6-9(10)11(15)16/h9-10,13-14H,3-8H2,1-2H3,(H,15,16)
InChIKeyMMCIBHQTTSRRNY-UHFFFAOYSA-N
XLogP1.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-2-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(1-hydroxy-2-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid (CID 57164631) is 2-[(1-hydroxy-2-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-hydroxy-2-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(1-hydroxy-2-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid is CCC(C)(CO)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[(1-hydroxy-2-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is MMCIBHQTTSRRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-12(2,8-14)13-10-7-5-4-6-9(10)11(15)16/h9-10,13-14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[(1-hydroxy-2-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid?
2-[(1-hydroxy-2-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 229.32 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-2-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 57164631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).