(2S)-2-[cyclohexyl(deuteriomethyl)amino]propanoic acid

C10H19NO2 — CID 139977637

IUPAC(2S)-2-[cyclohexyl(deuteriomethyl)amino]propanoic acid
SMILES[2H]CN(C1CCCCC1)[C@@H](C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-8(10(12)13)11(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-/m0/s1/i2D
InChIKeyWTDHSXGBDZBWAW-AXGAATRCSA-N
MW186.27 g/mol
LogP1.72
Rot. Bonds4

About (2S)-2-[cyclohexyl(deuteriomethyl)amino]propanoic acid

(2S)-2-[cyclohexyl(deuteriomethyl)amino]propanoic acid (PubChem CID 139977637) has the molecular formula C10H19NO2 and a molecular weight of 186.27 g/mol. Its IUPAC name is (2S)-2-[cyclohexyl(deuteriomethyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[cyclohexyl(deuteriomethyl)amino]propanoic acid
PubChem CID139977637
Molecular FormulaC10H19NO2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name(2S)-2-[cyclohexyl(deuteriomethyl)amino]propanoic acid
SMILES[2H]CN(C1CCCCC1)[C@@H](C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-8(10(12)13)11(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-/m0/s1/i2D
InChIKeyWTDHSXGBDZBWAW-AXGAATRCSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[cyclohexyl(deuteriomethyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[cyclohexyl(deuteriomethyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[cyclohexyl(deuteriomethyl)amino]propanoic acid (CID 139977637) is (2S)-2-[cyclohexyl(deuteriomethyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[cyclohexyl(deuteriomethyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[cyclohexyl(deuteriomethyl)amino]propanoic acid is [2H]CN(C1CCCCC1)[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[cyclohexyl(deuteriomethyl)amino]propanoic acid?
The InChIKey is WTDHSXGBDZBWAW-AXGAATRCSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(10(12)13)11(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-/m0/s1/i2D.
What are the key properties of (2S)-2-[cyclohexyl(deuteriomethyl)amino]propanoic acid?
(2S)-2-[cyclohexyl(deuteriomethyl)amino]propanoic acid has a molecular weight of 186.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[cyclohexyl(deuteriomethyl)amino]propanoic acid is sourced from PubChem (CID 139977637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).