2-amino-2-(3-tert-butylcyclohexyl)acetic acid

C12H23NO2 — CID 90418156

IUPAC2-amino-2-(3-tert-butylcyclohexyl)acetic acid
SMILESCC(C)(C)C1CCCC(C(N)C(=O)O)C1
InChIInChI=1S/C12H23NO2/c1-12(2,3)9-6-4-5-8(7-9)10(13)11(14)15/h8-10H,4-7,13H2,1-3H3,(H,14,15)
InChIKeySQLYUFMHEMSQMO-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.25
Rot. Bonds2

About 2-amino-2-(3-tert-butylcyclohexyl)acetic acid

2-amino-2-(3-tert-butylcyclohexyl)acetic acid (PubChem CID 90418156) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-amino-2-(3-tert-butylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3-tert-butylcyclohexyl)acetic acid
PubChem CID90418156
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-amino-2-(3-tert-butylcyclohexyl)acetic acid
SMILESCC(C)(C)C1CCCC(C(N)C(=O)O)C1
InChIInChI=1S/C12H23NO2/c1-12(2,3)9-6-4-5-8(7-9)10(13)11(14)15/h8-10H,4-7,13H2,1-3H3,(H,14,15)
InChIKeySQLYUFMHEMSQMO-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-(3-methylsulfonylcyclohexyl)acetic acid
CID 106702897
1,3-ditert-butylcyclohexane;sulfane
CID 159387743
2-aminoacetic acid;(2S)-2-amino-2-cyclopentylacetic acid
CID 157474717
2-[3-(trifluoromethyl)cyclohexyl]propanedioic acid
CID 22715203
2-[(1R,3R)-3-tert-butylcyclohexyl]acetic acid
CID 57180038
(2S)-2-amino-2-(4-methylcyclohexyl)acetic acid
CID 57462435
acetic acid;tert-butylcyclohexane
CID 69013500
1-tert-butyl-3-chlorocyclohexane
CID 13263671
(2S)-2-amino-2-(oxan-3-yl)acetic acid
CID 107134850
2-amino-2-(3-methylcyclohexyl)acetamide
CID 64990710
2-amino-2-(1-ethylazepan-4-yl)acetic acid
CID 84669559
2-(3-tert-butylazetidin-1-yl)-2-cyclohexylacetic acid
CID 79695044

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-tert-butylcyclohexyl)acetic acid?
The IUPAC name of 2-amino-2-(3-tert-butylcyclohexyl)acetic acid (CID 90418156) is 2-amino-2-(3-tert-butylcyclohexyl)acetic acid.
What is the SMILES notation for 2-amino-2-(3-tert-butylcyclohexyl)acetic acid?
The canonical SMILES for 2-amino-2-(3-tert-butylcyclohexyl)acetic acid is CC(C)(C)C1CCCC(C(N)C(=O)O)C1.
What is the InChIKey of 2-amino-2-(3-tert-butylcyclohexyl)acetic acid?
The InChIKey is SQLYUFMHEMSQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2,3)9-6-4-5-8(7-9)10(13)11(14)15/h8-10H,4-7,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-2-(3-tert-butylcyclohexyl)acetic acid?
2-amino-2-(3-tert-butylcyclohexyl)acetic acid has a molecular weight of 213.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-tert-butylcyclohexyl)acetic acid is sourced from PubChem (CID 90418156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).