2-[2-(aminomethyl)cyclohexyl]oxypropanoic acid

C10H19NO3 — CID 106940224

IUPAC2-[2-(aminomethyl)cyclohexyl]oxypropanoic acid
SMILESCC(OC1CCCCC1CN)C(=O)O
InChIInChI=1S/C10H19NO3/c1-7(10(12)13)14-9-5-3-2-4-8(9)6-11/h7-9H,2-6,11H2,1H3,(H,12,13)
InChIKeySTUWLXJBYYVBLZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.99
Rot. Bonds4

About 2-[2-(aminomethyl)cyclohexyl]oxypropanoic acid

2-[2-(aminomethyl)cyclohexyl]oxypropanoic acid (PubChem CID 106940224) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[2-(aminomethyl)cyclohexyl]oxypropanoic acid.

Molecular Properties

Compound Name2-[2-(aminomethyl)cyclohexyl]oxypropanoic acid
PubChem CID106940224
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[2-(aminomethyl)cyclohexyl]oxypropanoic acid
SMILESCC(OC1CCCCC1CN)C(=O)O
InChIInChI=1S/C10H19NO3/c1-7(10(12)13)14-9-5-3-2-4-8(9)6-11/h7-9H,2-6,11H2,1H3,(H,12,13)
InChIKeySTUWLXJBYYVBLZ-UHFFFAOYSA-N
XLogP0.99
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)cyclohexyl]oxybutanoic acid
CID 106940249
2-[[2-(aminomethyl)cyclopentyl]methoxy]propanoic acid
CID 106940301
[2-(aminomethyl)cyclopentyl] methyl carbonate
CID 79336951
2-[3-(aminomethyl)cyclobutyl]oxypropanoic acid
CID 106940343
[2-(aminomethyl)cyclopentyl] acetate
CID 174436226
ethyl 2-(2-aminocyclohexyl)oxypropanoate
CID 106940844
3-[2-(aminomethyl)cyclohexyl]oxy-2-methylpropan-1-ol
CID 106938411
2-(4-aminocyclohexyl)oxypropanoic acid
CID 18666259
[2-(aminomethyl)cyclohexyl]methyl 2-methylpropyl carbonate
CID 79338390
[2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine
CID 43428867
(2-methoxycyclopentyl)methanamine
CID 43428752
(2S)-2-amino-4,4-difluoro-1-(2-propan-2-yloxycyclohexyl)pentan-3-one
CID 154415706

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)cyclohexyl]oxypropanoic acid?
The IUPAC name of 2-[2-(aminomethyl)cyclohexyl]oxypropanoic acid (CID 106940224) is 2-[2-(aminomethyl)cyclohexyl]oxypropanoic acid.
What is the SMILES notation for 2-[2-(aminomethyl)cyclohexyl]oxypropanoic acid?
The canonical SMILES for 2-[2-(aminomethyl)cyclohexyl]oxypropanoic acid is CC(OC1CCCCC1CN)C(=O)O.
What is the InChIKey of 2-[2-(aminomethyl)cyclohexyl]oxypropanoic acid?
The InChIKey is STUWLXJBYYVBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(10(12)13)14-9-5-3-2-4-8(9)6-11/h7-9H,2-6,11H2,1H3,(H,12,13).
What are the key properties of 2-[2-(aminomethyl)cyclohexyl]oxypropanoic acid?
2-[2-(aminomethyl)cyclohexyl]oxypropanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)cyclohexyl]oxypropanoic acid is sourced from PubChem (CID 106940224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).