2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]acetic acid

C12H22N2O3 — CID 102628578

IUPAC2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]acetic acid
SMILESCC1C(N)CCC(C(=O)NCC(=O)O)C1(C)C
InChIInChI=1S/C12H22N2O3/c1-7-9(13)5-4-8(12(7,2)3)11(17)14-6-10(15)16/h7-9H,4-6,13H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyBRWONPCLLKIWIP-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.59
Rot. Bonds3

About 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]acetic acid

2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]acetic acid (PubChem CID 102628578) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]acetic acid
PubChem CID102628578
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]acetic acid
SMILESCC1C(N)CCC(C(=O)NCC(=O)O)C1(C)C
InChIInChI=1S/C12H22N2O3/c1-7-9(13)5-4-8(12(7,2)3)11(17)14-6-10(15)16/h7-9H,4-6,13H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyBRWONPCLLKIWIP-UHFFFAOYSA-N
XLogP0.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,2-Dimethylcyclohexyl)acetyl]amino]-3-fluoropropanoic acid
CID 121945039
2-[[2-(4-Tert-butylcyclohexyl)acetyl]amino]-3-fluoropropanoic acid
CID 121945204
3-Fluoro-2-[[2-(3,3,5-trimethylcyclohexyl)acetyl]amino]propanoic acid
CID 121945729
N-[5-Methyl-2-(propan-2-yl)cyclohexane-1-carbonyl]glycine
CID 16035441
2-[[2-[1-(Aminomethyl)-3-methylcyclohexyl]acetyl]amino]acetic acid
CID 18692707
2-[[2-(5-Methyl-2-propan-2-ylcyclohexyl)acetyl]amino]acetic acid
CID 49779500
(2S)-6-amino-2-[(4-amino-1-methylcyclohexanecarbonyl)amino]hexanoic acid
CID 57022858
2-[(3-Methyl-1-propan-2-ylcyclohexanecarbonyl)amino]butanoic acid
CID 66632173
2-[(5-Methyl-2-propylcyclohexanecarbonyl)amino]acetic acid
CID 66648145
(2R)-2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid
CID 66910159
2-[(4-Aminoadamantane-1-carbonyl)amino]butanoic acid
CID 66924046
2-[(3-Methyl-1-propan-2-ylcyclohexanecarbonyl)amino]acetic acid
CID 67076391

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]acetic acid (CID 102628578) is 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]acetic acid is CC1C(N)CCC(C(=O)NCC(=O)O)C1(C)C.
What is the InChIKey of 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]acetic acid?
The InChIKey is BRWONPCLLKIWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-7-9(13)5-4-8(12(7,2)3)11(17)14-6-10(15)16/h7-9H,4-6,13H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]acetic acid?
2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]acetic acid is sourced from PubChem (CID 102628578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).