5-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-ethylpentanoic acid

C16H29NO3 — CID 106807115

IUPAC5-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-ethylpentanoic acid
SMILESCCC(CCCOCC1CCCC1)(NC1CC1)C(=O)O
InChIInChI=1S/C16H29NO3/c1-2-16(15(18)19,17-14-8-9-14)10-5-11-20-12-13-6-3-4-7-13/h13-14,17H,2-12H2,1H3,(H,18,19)
InChIKeyAVJGJYOVLWAGEM-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.96
Rot. Bonds10

About 5-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-ethylpentanoic acid

5-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-ethylpentanoic acid (PubChem CID 106807115) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 5-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-ethylpentanoic acid.

Molecular Properties

Compound Name5-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-ethylpentanoic acid
PubChem CID106807115
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name5-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-ethylpentanoic acid
SMILESCCC(CCCOCC1CCCC1)(NC1CC1)C(=O)O
InChIInChI=1S/C16H29NO3/c1-2-16(15(18)19,17-14-8-9-14)10-5-11-20-12-13-6-3-4-7-13/h13-14,17H,2-12H2,1H3,(H,18,19)
InChIKeyAVJGJYOVLWAGEM-UHFFFAOYSA-N
XLogP2.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.96
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 5-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-ethylpentanoic acid?
The IUPAC name of 5-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-ethylpentanoic acid (CID 106807115) is 5-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-ethylpentanoic acid.
What is the SMILES notation for 5-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-ethylpentanoic acid?
The canonical SMILES for 5-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-ethylpentanoic acid is CCC(CCCOCC1CCCC1)(NC1CC1)C(=O)O.
What is the InChIKey of 5-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-ethylpentanoic acid?
The InChIKey is AVJGJYOVLWAGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-2-16(15(18)19,17-14-8-9-14)10-5-11-20-12-13-6-3-4-7-13/h13-14,17H,2-12H2,1H3,(H,18,19).
What are the key properties of 5-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-ethylpentanoic acid?
5-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-ethylpentanoic acid has a molecular weight of 283.41 g/mol, XLogP of 2.96, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-ethylpentanoic acid is sourced from PubChem (CID 106807115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).