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

C10H19NO2 — CID 41097900

IUPAC(2S)-3-cyclohexyl-2-(methylamino)propanoic acid
SMILESCN[C@@H](CC1CCCCC1)C(=O)O
InChIInChI=1S/C10H19NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h8-9,11H,2-7H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyGBMDYACPQYNUGA-VIFPVBQESA-N
MW185.27 g/mol
LogP1.63
Rot. Bonds4

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

(2S)-3-cyclohexyl-2-(methylamino)propanoic acid (PubChem CID 41097900) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-2-(methylamino)propanoic acid
PubChem CID41097900
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2S)-3-cyclohexyl-2-(methylamino)propanoic acid
SMILESCN[C@@H](CC1CCCCC1)C(=O)O
InChIInChI=1S/C10H19NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h8-9,11H,2-7H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyGBMDYACPQYNUGA-VIFPVBQESA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-2-(methylamino)propanoic acid?
The IUPAC name of (2S)-3-cyclohexyl-2-(methylamino)propanoic acid (CID 41097900) is (2S)-3-cyclohexyl-2-(methylamino)propanoic acid.
What is the SMILES notation for (2S)-3-cyclohexyl-2-(methylamino)propanoic acid?
The canonical SMILES for (2S)-3-cyclohexyl-2-(methylamino)propanoic acid is CN[C@@H](CC1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-3-cyclohexyl-2-(methylamino)propanoic acid?
The InChIKey is GBMDYACPQYNUGA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h8-9,11H,2-7H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-2-(methylamino)propanoic acid?
(2S)-3-cyclohexyl-2-(methylamino)propanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-2-(methylamino)propanoic acid is sourced from PubChem (CID 41097900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).