3-cyclohexyl-2-(diethylamino)propanoic acid

C13H25NO2 — CID 67669463

IUPAC3-cyclohexyl-2-(diethylamino)propanoic acid
SMILESCCN(CC)C(CC1CCCCC1)C(=O)O
InChIInChI=1S/C13H25NO2/c1-3-14(4-2)12(13(15)16)10-11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyNETVUQPXDTYRKU-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.75
Rot. Bonds6

About 3-cyclohexyl-2-(diethylamino)propanoic acid

3-cyclohexyl-2-(diethylamino)propanoic acid (PubChem CID 67669463) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-cyclohexyl-2-(diethylamino)propanoic acid.

Molecular Properties

Compound Name3-cyclohexyl-2-(diethylamino)propanoic acid
PubChem CID67669463
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-cyclohexyl-2-(diethylamino)propanoic acid
SMILESCCN(CC)C(CC1CCCCC1)C(=O)O
InChIInChI=1S/C13H25NO2/c1-3-14(4-2)12(13(15)16)10-11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyNETVUQPXDTYRKU-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(diethylamino)propanoic acid?
The IUPAC name of 3-cyclohexyl-2-(diethylamino)propanoic acid (CID 67669463) is 3-cyclohexyl-2-(diethylamino)propanoic acid.
What is the SMILES notation for 3-cyclohexyl-2-(diethylamino)propanoic acid?
The canonical SMILES for 3-cyclohexyl-2-(diethylamino)propanoic acid is CCN(CC)C(CC1CCCCC1)C(=O)O.
What is the InChIKey of 3-cyclohexyl-2-(diethylamino)propanoic acid?
The InChIKey is NETVUQPXDTYRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-14(4-2)12(13(15)16)10-11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 3-cyclohexyl-2-(diethylamino)propanoic acid?
3-cyclohexyl-2-(diethylamino)propanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(diethylamino)propanoic acid is sourced from PubChem (CID 67669463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).