3-amino-2-(cyclohexylmethoxy)propanoic acid

C10H19NO3 — CID 64695056

IUPAC3-amino-2-(cyclohexylmethoxy)propanoic acid
SMILESNCC(OCC1CCCCC1)C(=O)O
InChIInChI=1S/C10H19NO3/c11-6-9(10(12)13)14-7-8-4-2-1-3-5-8/h8-9H,1-7,11H2,(H,12,13)
InChIKeyIIFRYVLYVPLVGA-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.00
Rot. Bonds5

About 3-amino-2-(cyclohexylmethoxy)propanoic acid

3-amino-2-(cyclohexylmethoxy)propanoic acid (PubChem CID 64695056) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-amino-2-(cyclohexylmethoxy)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(cyclohexylmethoxy)propanoic acid
PubChem CID64695056
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-amino-2-(cyclohexylmethoxy)propanoic acid
SMILESNCC(OCC1CCCCC1)C(=O)O
InChIInChI=1S/C10H19NO3/c11-6-9(10(12)13)14-7-8-4-2-1-3-5-8/h8-9H,1-7,11H2,(H,12,13)
InChIKeyIIFRYVLYVPLVGA-UHFFFAOYSA-N
XLogP1.00
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(cyclopentylmethoxy)propanoic acid
CID 66322940
2-(cyclopentylmethoxy)butanoic acid
CID 66324485
2-(cyclopentylmethoxy)propanoic acid
CID 66322360
methyl (2R)-2-(cycloheptylmethoxy)-4-methylpentanoate
CID 114282489
cyclohexylmethoxymethylcyclohexane;hydroxylamine
CID 67759423
cyclohexylmethyl 2-(aminomethyl)butanoate
CID 65218100
carbonic acid;cyclohexylmethanamine
CID 67545146
(2S)-3-(4-bromophenyl)-2-(cyclopropylmethoxy)propanoic acid
CID 68527920
ethyl 3-(cyclohexylmethoxy)butanoate
CID 115003091
3-amino-N-(cyclohexylmethyl)-2-methoxypropanamide
CID 106111277
(2R)-2-(cyclohexylmethoxy)pentan-3-one
CID 163532136
3-(cyclohexylmethoxy)-3-oxopropanoic acid
CID 19378623

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(cyclohexylmethoxy)propanoic acid?
The IUPAC name of 3-amino-2-(cyclohexylmethoxy)propanoic acid (CID 64695056) is 3-amino-2-(cyclohexylmethoxy)propanoic acid.
What is the SMILES notation for 3-amino-2-(cyclohexylmethoxy)propanoic acid?
The canonical SMILES for 3-amino-2-(cyclohexylmethoxy)propanoic acid is NCC(OCC1CCCCC1)C(=O)O.
What is the InChIKey of 3-amino-2-(cyclohexylmethoxy)propanoic acid?
The InChIKey is IIFRYVLYVPLVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c11-6-9(10(12)13)14-7-8-4-2-1-3-5-8/h8-9H,1-7,11H2,(H,12,13).
What are the key properties of 3-amino-2-(cyclohexylmethoxy)propanoic acid?
3-amino-2-(cyclohexylmethoxy)propanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(cyclohexylmethoxy)propanoic acid is sourced from PubChem (CID 64695056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).