(2S)-3-cyclohexyloxy-2-(methylamino)propanoic acid

C10H19NO3 — CID 177277401

IUPAC(2S)-3-cyclohexyloxy-2-(methylamino)propanoic acid
SMILESCN[C@@H](COC1CCCCC1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-11-9(10(12)13)7-14-8-5-3-2-4-6-8/h8-9,11H,2-7H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyDDVNGTRNRRFMDY-VIFPVBQESA-N
MW201.27 g/mol
LogP1.01
Rot. Bonds5

About (2S)-3-cyclohexyloxy-2-(methylamino)propanoic acid

(2S)-3-cyclohexyloxy-2-(methylamino)propanoic acid (PubChem CID 177277401) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2S)-3-cyclohexyloxy-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-cyclohexyloxy-2-(methylamino)propanoic acid
PubChem CID177277401
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(2S)-3-cyclohexyloxy-2-(methylamino)propanoic acid
SMILESCN[C@@H](COC1CCCCC1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-11-9(10(12)13)7-14-8-5-3-2-4-6-8/h8-9,11H,2-7H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyDDVNGTRNRRFMDY-VIFPVBQESA-N
XLogP1.01
TPSA58.56 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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyloxy-2-(methylamino)propanoic acid?
The IUPAC name of (2S)-3-cyclohexyloxy-2-(methylamino)propanoic acid (CID 177277401) is (2S)-3-cyclohexyloxy-2-(methylamino)propanoic acid.
What is the SMILES notation for (2S)-3-cyclohexyloxy-2-(methylamino)propanoic acid?
The canonical SMILES for (2S)-3-cyclohexyloxy-2-(methylamino)propanoic acid is CN[C@@H](COC1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-3-cyclohexyloxy-2-(methylamino)propanoic acid?
The InChIKey is DDVNGTRNRRFMDY-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO3/c1-11-9(10(12)13)7-14-8-5-3-2-4-6-8/h8-9,11H,2-7H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-3-cyclohexyloxy-2-(methylamino)propanoic acid?
(2S)-3-cyclohexyloxy-2-(methylamino)propanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyloxy-2-(methylamino)propanoic acid is sourced from PubChem (CID 177277401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).