2-methyl-2-[methyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]propanoic acid

C14H21NO3 — CID 103925583

IUPAC2-methyl-2-[methyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]propanoic acid
SMILESCN(C(=O)C1C2C3CCC(C3)C12)C(C)(C)C(=O)O
InChIInChI=1S/C14H21NO3/c1-14(2,13(17)18)15(3)12(16)11-9-7-4-5-8(6-7)10(9)11/h7-11H,4-6H2,1-3H3,(H,17,18)
InChIKeyNOEOHOVOEFLMEM-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.60
Rot. Bonds3

About 2-methyl-2-[methyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]propanoic acid

2-methyl-2-[methyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]propanoic acid (PubChem CID 103925583) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methyl-2-[methyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]propanoic acid
PubChem CID103925583
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-methyl-2-[methyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]propanoic acid
SMILESCN(C(=O)C1C2C3CCC(C3)C12)C(C)(C)C(=O)O
InChIInChI=1S/C14H21NO3/c1-14(2,13(17)18)15(3)12(16)11-9-7-4-5-8(6-7)10(9)11/h7-11H,4-6H2,1-3H3,(H,17,18)
InChIKeyNOEOHOVOEFLMEM-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-[methyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-N-methyltricyclo[3.2.1.02,4]octane-3-carboxamide
CID 114097236
2-[cyclopropanecarbonyl(methyl)amino]-2-methylpropanoic acid
CID 62817910
2-[cyclooctanecarbonyl(methyl)amino]-2-methylpropanoic acid
CID 65019470
2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]-2-methylpropanoic acid
CID 62819366
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 62822670
N-ethyl-N-(2-hydroxy-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103761925
ditert-butyl tricyclo[4.2.1.02,5]nonane-3,4-dicarboxylate
CID 129175515
2-[ethyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]acetic acid
CID 103925589
(2S)-2-[cyclopropyl-[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]propanoic acid
CID 129466617
2-[propyl-[(1R,2R,4S,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid
CID 99851542
2-[(2-cyclopentylacetyl)-methylamino]-2-methylpropanoic acid
CID 62818628
(1S,2S,3R,4S)-2-N,2-N,3-N,3-N-tetramethylbicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 98532778

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]propanoic acid (CID 103925583) is 2-methyl-2-[methyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]propanoic acid is CN(C(=O)C1C2C3CCC(C3)C12)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]propanoic acid?
The InChIKey is NOEOHOVOEFLMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,13(17)18)15(3)12(16)11-9-7-4-5-8(6-7)10(9)11/h7-11H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-2-[methyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]propanoic acid?
2-methyl-2-[methyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]propanoic acid has a molecular weight of 251.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 103925583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).