2-(4-aminocyclohexyl)oxypropanoic acid

C9H17NO3 — CID 18666259

IUPAC2-(4-aminocyclohexyl)oxypropanoic acid
SMILESCC(OC1CCC(N)CC1)C(=O)O
InChIInChI=1S/C9H17NO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h6-8H,2-5,10H2,1H3,(H,11,12)
InChIKeyVRXIRHZAAONYNF-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.75
Rot. Bonds3

About 2-(4-aminocyclohexyl)oxypropanoic acid

2-(4-aminocyclohexyl)oxypropanoic acid (PubChem CID 18666259) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)oxypropanoic acid.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)oxypropanoic acid
PubChem CID18666259
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-(4-aminocyclohexyl)oxypropanoic acid
SMILESCC(OC1CCC(N)CC1)C(=O)O
InChIInChI=1S/C9H17NO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h6-8H,2-5,10H2,1H3,(H,11,12)
InChIKeyVRXIRHZAAONYNF-UHFFFAOYSA-N
XLogP0.75
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminocyclohexyl)oxy-N-pentan-3-ylpropanamide
CID 62806864
2-[3-(aminomethyl)cyclobutyl]oxypropanoic acid
CID 106940343
2-(4-aminocyclohexyl)oxy-N-(2-methylpropyl)propanamide
CID 62805985
(2S)-2-(oxetan-3-yloxy)propanoic acid
CID 103338261
2-(3-aminocyclopentyl)oxy-N-cyclopentylpropanamide
CID 79465685
2-(4-aminocyclohexyl)oxypropan-1-ol
CID 130502573
2-(1-methylpiperidin-3-yl)oxypropanoic acid
CID 23008476
(2S)-2-cyclopropyloxy-3-methylpentanoic acid
CID 170443442
4-[1-(4-methylcyclohexyl)oxyethoxy]cyclohexan-1-amine
CID 160735997
2-(3-aminocyclopentyl)oxy-N-prop-2-ynylpropanamide
CID 79464943
2-[2-(aminomethyl)cyclohexyl]oxypropanoic acid
CID 106940224
methyl (2S)-2-cyclobutyloxypropanoate
CID 103337973

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)oxypropanoic acid?
The IUPAC name of 2-(4-aminocyclohexyl)oxypropanoic acid (CID 18666259) is 2-(4-aminocyclohexyl)oxypropanoic acid.
What is the SMILES notation for 2-(4-aminocyclohexyl)oxypropanoic acid?
The canonical SMILES for 2-(4-aminocyclohexyl)oxypropanoic acid is CC(OC1CCC(N)CC1)C(=O)O.
What is the InChIKey of 2-(4-aminocyclohexyl)oxypropanoic acid?
The InChIKey is VRXIRHZAAONYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h6-8H,2-5,10H2,1H3,(H,11,12).
What are the key properties of 2-(4-aminocyclohexyl)oxypropanoic acid?
2-(4-aminocyclohexyl)oxypropanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)oxypropanoic acid is sourced from PubChem (CID 18666259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).