3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid

C12H21NO2 — CID 63682304

IUPAC3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid
SMILESCC(CNCC1CC2CCC1C2)C(=O)O
InChIInChI=1S/C12H21NO2/c1-8(12(14)15)6-13-7-11-5-9-2-3-10(11)4-9/h8-11,13H,2-7H2,1H3,(H,14,15)
InChIKeySBODMFDFCZTPPD-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.73
Rot. Bonds5

About 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid

3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid (PubChem CID 63682304) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid
PubChem CID63682304
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid
SMILESCC(CNCC1CC2CCC1C2)C(=O)O
InChIInChI=1S/C12H21NO2/c1-8(12(14)15)6-13-7-11-5-9-2-3-10(11)4-9/h8-11,13H,2-7H2,1H3,(H,14,15)
InChIKeySBODMFDFCZTPPD-UHFFFAOYSA-N
XLogP1.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanamide
CID 63681793
ethyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoate
CID 55232433
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-2-methylpropan-1-amine
CID 79550151
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylpentan-1-amine
CID 63683470
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(3-methylbutan-2-yl)acetamide
CID 63683659
5-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-methylpentanoic acid
CID 113440686
(2S)-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-methylpentanoic acid
CID 61155175
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide
CID 63683466
N-(2-bicyclo[2.2.1]heptanylmethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 113410499
(E)-4-(2-bicyclo[2.2.1]heptanylmethylamino)but-2-enoic acid
CID 103250955
2-[(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)methyl]pentanoic acid
CID 65226271
2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-phenylethanol
CID 63681601

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid (CID 63682304) is 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid is CC(CNCC1CC2CCC1C2)C(=O)O.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid?
The InChIKey is SBODMFDFCZTPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-8(12(14)15)6-13-7-11-5-9-2-3-10(11)4-9/h8-11,13H,2-7H2,1H3,(H,14,15).
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid?
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid has a molecular weight of 211.30 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid is sourced from PubChem (CID 63682304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).