4-(cyclohexylmethoxy)-2-(ethylamino)butanoic acid

C13H25NO3 — CID 63034967

IUPAC4-(cyclohexylmethoxy)-2-(ethylamino)butanoic acid
SMILESCCNC(CCOCC1CCCCC1)C(=O)O
InChIInChI=1S/C13H25NO3/c1-2-14-12(13(15)16)8-9-17-10-11-6-4-3-5-7-11/h11-12,14H,2-10H2,1H3,(H,15,16)
InChIKeyMBTQYBAXRFCURS-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.04
Rot. Bonds8

About 4-(cyclohexylmethoxy)-2-(ethylamino)butanoic acid

4-(cyclohexylmethoxy)-2-(ethylamino)butanoic acid (PubChem CID 63034967) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-2-(ethylamino)butanoic acid.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-2-(ethylamino)butanoic acid
PubChem CID63034967
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name4-(cyclohexylmethoxy)-2-(ethylamino)butanoic acid
SMILESCCNC(CCOCC1CCCCC1)C(=O)O
InChIInChI=1S/C13H25NO3/c1-2-14-12(13(15)16)8-9-17-10-11-6-4-3-5-7-11/h11-12,14H,2-10H2,1H3,(H,15,16)
InChIKeyMBTQYBAXRFCURS-UHFFFAOYSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-2-(ethylamino)butanoic acid?
The IUPAC name of 4-(cyclohexylmethoxy)-2-(ethylamino)butanoic acid (CID 63034967) is 4-(cyclohexylmethoxy)-2-(ethylamino)butanoic acid.
What is the SMILES notation for 4-(cyclohexylmethoxy)-2-(ethylamino)butanoic acid?
The canonical SMILES for 4-(cyclohexylmethoxy)-2-(ethylamino)butanoic acid is CCNC(CCOCC1CCCCC1)C(=O)O.
What is the InChIKey of 4-(cyclohexylmethoxy)-2-(ethylamino)butanoic acid?
The InChIKey is MBTQYBAXRFCURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-2-14-12(13(15)16)8-9-17-10-11-6-4-3-5-7-11/h11-12,14H,2-10H2,1H3,(H,15,16).
What are the key properties of 4-(cyclohexylmethoxy)-2-(ethylamino)butanoic acid?
4-(cyclohexylmethoxy)-2-(ethylamino)butanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-2-(ethylamino)butanoic acid is sourced from PubChem (CID 63034967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).