2-aminoacetic acid;1,2,3-trimethoxy-5-[(2-methylcyclopropyl)methyl]benzene

C16H25NO5 — CID 67301313

IUPAC2-aminoacetic acid;1,2,3-trimethoxy-5-[(2-methylcyclopropyl)methyl]benzene
SMILESCOc1cc(CC2CC2C)cc(OC)c1OC.NCC(=O)O
InChIInChI=1S/C14H20O3.C2H5NO2/c1-9-5-11(9)6-10-7-12(15-2)14(17-4)13(8-10)16-3;3-1-2(4)5/h7-9,11H,5-6H2,1-4H3;1,3H2,(H,4,5)
InChIKeyGDGSQIGVIXOOHT-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.94
Rot. Bonds6

About 2-aminoacetic acid;1,2,3-trimethoxy-5-[(2-methylcyclopropyl)methyl]benzene

2-aminoacetic acid;1,2,3-trimethoxy-5-[(2-methylcyclopropyl)methyl]benzene (PubChem CID 67301313) has the molecular formula C16H25NO5 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-aminoacetic acid;1,2,3-trimethoxy-5-[(2-methylcyclopropyl)methyl]benzene.

Molecular Properties

Compound Name2-aminoacetic acid;1,2,3-trimethoxy-5-[(2-methylcyclopropyl)methyl]benzene
PubChem CID67301313
Molecular FormulaC16H25NO5
Molecular Weight311.38 g/mol
Exact Mass311.17
IUPAC Name2-aminoacetic acid;1,2,3-trimethoxy-5-[(2-methylcyclopropyl)methyl]benzene
SMILESCOc1cc(CC2CC2C)cc(OC)c1OC.NCC(=O)O
InChIInChI=1S/C14H20O3.C2H5NO2/c1-9-5-11(9)6-10-7-12(15-2)14(17-4)13(8-10)16-3;3-1-2(4)5/h7-9,11H,5-6H2,1-4H3;1,3H2,(H,4,5)
InChIKeyGDGSQIGVIXOOHT-UHFFFAOYSA-N
XLogP1.94
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4R)-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-ol
CID 162911530
2-[(3,4,5-trimethoxyphenyl)methyl]oxirane
CID 12052944
2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride
CID 22281599
5-methyl-1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122119535
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 119691568
2-[5,6-dimethoxy-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]-3H-inden-1-yl]acetic acid
CID 135329132
2-[(3-bromo-4-methoxyphenyl)methyl]cyclobutane-1-carboxylic acid
CID 81008346
3-(3,4,5-trimethoxyphenyl)propanoyl chloride
CID 14650097
1-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxylic acid
CID 94277738
[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11937954
4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119691567

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;1,2,3-trimethoxy-5-[(2-methylcyclopropyl)methyl]benzene?
The IUPAC name of 2-aminoacetic acid;1,2,3-trimethoxy-5-[(2-methylcyclopropyl)methyl]benzene (CID 67301313) is 2-aminoacetic acid;1,2,3-trimethoxy-5-[(2-methylcyclopropyl)methyl]benzene.
What is the SMILES notation for 2-aminoacetic acid;1,2,3-trimethoxy-5-[(2-methylcyclopropyl)methyl]benzene?
The canonical SMILES for 2-aminoacetic acid;1,2,3-trimethoxy-5-[(2-methylcyclopropyl)methyl]benzene is COc1cc(CC2CC2C)cc(OC)c1OC.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;1,2,3-trimethoxy-5-[(2-methylcyclopropyl)methyl]benzene?
The InChIKey is GDGSQIGVIXOOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3.C2H5NO2/c1-9-5-11(9)6-10-7-12(15-2)14(17-4)13(8-10)16-3;3-1-2(4)5/h7-9,11H,5-6H2,1-4H3;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;1,2,3-trimethoxy-5-[(2-methylcyclopropyl)methyl]benzene?
2-aminoacetic acid;1,2,3-trimethoxy-5-[(2-methylcyclopropyl)methyl]benzene has a molecular weight of 311.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;1,2,3-trimethoxy-5-[(2-methylcyclopropyl)methyl]benzene is sourced from PubChem (CID 67301313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).