2-(1-amino-2-tert-butylcyclohexyl)acetic acid

C12H23NO2 — CID 64663875

IUPAC2-(1-amino-2-tert-butylcyclohexyl)acetic acid
SMILESCC(C)(C)C1CCCCC1(N)CC(=O)O
InChIInChI=1S/C12H23NO2/c1-11(2,3)9-6-4-5-7-12(9,13)8-10(14)15/h9H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyXSWWIVKDBQVAMI-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.39
Rot. Bonds2

About 2-(1-amino-2-tert-butylcyclohexyl)acetic acid

2-(1-amino-2-tert-butylcyclohexyl)acetic acid (PubChem CID 64663875) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(1-amino-2-tert-butylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(1-amino-2-tert-butylcyclohexyl)acetic acid
PubChem CID64663875
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(1-amino-2-tert-butylcyclohexyl)acetic acid
SMILESCC(C)(C)C1CCCCC1(N)CC(=O)O
InChIInChI=1S/C12H23NO2/c1-11(2,3)9-6-4-5-7-12(9,13)8-10(14)15/h9H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyXSWWIVKDBQVAMI-UHFFFAOYSA-N
XLogP2.39
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,2-diaminocyclohexyl)acetic acid;hydrate
CID 70410023
2-[2-tert-butyl-1-(dimethylamino)cyclohexyl]acetic acid
CID 64527365
2-tert-butyl-1-propylcyclohexan-1-amine
CID 43809442
1-butyl-2-tert-butylcyclohexan-1-amine
CID 63408346
2-tert-butyl-1-(2-methoxyethyl)cyclohexan-1-amine
CID 82239429
2-(2-amino-2-bicyclo[4.1.0]heptanyl)acetic acid
CID 130526238
2-[(1R)-1-amino-2-methylcyclopropyl]acetic acid
CID 171036084
2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine
CID 63408085
2-tert-butyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
CID 43803402
trans-(1R,2R)-2-tert-butyl-1-methylcyclohexan-1-ol
CID 23305114
2-(1-amino-3-tert-butylcyclobutyl)acetic acid
CID 174479770
2-tert-butyl-1-cycloheptylcyclohexan-1-amine
CID 82931284

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-tert-butylcyclohexyl)acetic acid?
The IUPAC name of 2-(1-amino-2-tert-butylcyclohexyl)acetic acid (CID 64663875) is 2-(1-amino-2-tert-butylcyclohexyl)acetic acid.
What is the SMILES notation for 2-(1-amino-2-tert-butylcyclohexyl)acetic acid?
The canonical SMILES for 2-(1-amino-2-tert-butylcyclohexyl)acetic acid is CC(C)(C)C1CCCCC1(N)CC(=O)O.
What is the InChIKey of 2-(1-amino-2-tert-butylcyclohexyl)acetic acid?
The InChIKey is XSWWIVKDBQVAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(2,3)9-6-4-5-7-12(9,13)8-10(14)15/h9H,4-8,13H2,1-3H3,(H,14,15).
What are the key properties of 2-(1-amino-2-tert-butylcyclohexyl)acetic acid?
2-(1-amino-2-tert-butylcyclohexyl)acetic acid has a molecular weight of 213.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-tert-butylcyclohexyl)acetic acid is sourced from PubChem (CID 64663875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).