2-[2-bicyclo[2.2.1]heptanylmethyl(2-methylpropyl)amino]acetic acid

C14H25NO2 — CID 79558141

IUPAC2-[2-bicyclo[2.2.1]heptanylmethyl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)CC1CC2CCC1C2
InChIInChI=1S/C14H25NO2/c1-10(2)7-15(9-14(16)17)8-13-6-11-3-4-12(13)5-11/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyNZDDYBWEUIYRFU-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.47
Rot. Bonds6

About 2-[2-bicyclo[2.2.1]heptanylmethyl(2-methylpropyl)amino]acetic acid

2-[2-bicyclo[2.2.1]heptanylmethyl(2-methylpropyl)amino]acetic acid (PubChem CID 79558141) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[2-bicyclo[2.2.1]heptanylmethyl(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-bicyclo[2.2.1]heptanylmethyl(2-methylpropyl)amino]acetic acid
PubChem CID79558141
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-[2-bicyclo[2.2.1]heptanylmethyl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)CC1CC2CCC1C2
InChIInChI=1S/C14H25NO2/c1-10(2)7-15(9-14(16)17)8-13-6-11-3-4-12(13)5-11/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyNZDDYBWEUIYRFU-UHFFFAOYSA-N
XLogP2.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-butan-2-ylamino]acetic acid
CID 63684063
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-oxopropanoic acid
CID 63685758
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
2-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpentanoic acid
CID 79558834
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 63682043
(2S)-2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 63682031
2-[ethyl(2-methylpropyl)amino]acetic acid
CID 43273893
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-N-methylpropan-1-amine
CID 80667462
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-methylpropane-1,2-diamine
CID 63681727
3-(2-bicyclo[2.2.1]heptanylmethylsulfanyl)butanoic acid
CID 79553861
2-[2-bicyclo[2.2.1]heptanylmethyl(ethyl)amino]ethanethioamide
CID 79552563
N-(3-amino-3-hydroxyiminopropyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-(2-methylpropyl)acetamide
CID 76917233

Frequently Asked Questions

What is the IUPAC name of 2-[2-bicyclo[2.2.1]heptanylmethyl(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[2-bicyclo[2.2.1]heptanylmethyl(2-methylpropyl)amino]acetic acid (CID 79558141) is 2-[2-bicyclo[2.2.1]heptanylmethyl(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[2-bicyclo[2.2.1]heptanylmethyl(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[2-bicyclo[2.2.1]heptanylmethyl(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)CC1CC2CCC1C2.
What is the InChIKey of 2-[2-bicyclo[2.2.1]heptanylmethyl(2-methylpropyl)amino]acetic acid?
The InChIKey is NZDDYBWEUIYRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10(2)7-15(9-14(16)17)8-13-6-11-3-4-12(13)5-11/h10-13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-bicyclo[2.2.1]heptanylmethyl(2-methylpropyl)amino]acetic acid?
2-[2-bicyclo[2.2.1]heptanylmethyl(2-methylpropyl)amino]acetic acid has a molecular weight of 239.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bicyclo[2.2.1]heptanylmethyl(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 79558141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).