2-amino-5-cycloheptyloxy-2-ethylpentanoic acid

C14H27NO3 — CID 106806735

IUPAC2-amino-5-cycloheptyloxy-2-ethylpentanoic acid
SMILESCCC(N)(CCCOC1CCCCCC1)C(=O)O
InChIInChI=1S/C14H27NO3/c1-2-14(15,13(16)17)10-7-11-18-12-8-5-3-4-6-9-12/h12H,2-11,15H2,1H3,(H,16,17)
InChIKeyCXPLVLKKKWSQFO-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.70
Rot. Bonds7

About 2-amino-5-cycloheptyloxy-2-ethylpentanoic acid

2-amino-5-cycloheptyloxy-2-ethylpentanoic acid (PubChem CID 106806735) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-amino-5-cycloheptyloxy-2-ethylpentanoic acid.

Molecular Properties

Compound Name2-amino-5-cycloheptyloxy-2-ethylpentanoic acid
PubChem CID106806735
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-amino-5-cycloheptyloxy-2-ethylpentanoic acid
SMILESCCC(N)(CCCOC1CCCCCC1)C(=O)O
InChIInChI=1S/C14H27NO3/c1-2-14(15,13(16)17)10-7-11-18-12-8-5-3-4-6-9-12/h12H,2-11,15H2,1H3,(H,16,17)
InChIKeyCXPLVLKKKWSQFO-UHFFFAOYSA-N
XLogP2.70
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.70
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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Related Compounds

5-cyclohexyloxy-2-ethyl-2-(propylamino)pentanoic acid
CID 106806896
2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid
CID 106806761
2-amino-2-ethyl-5-(3,3,3-trifluoropropoxy)pentanoic acid
CID 106807151
2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanoic acid
CID 106807179
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
6-cycloheptyloxyhexan-2-one
CID 61069930
2-amino-6-cyclopentyloxy-2-methylhexan-1-ol
CID 64803652
2-amino-N-(2-cycloheptyloxyethyl)-2-methylpentanamide
CID 119786683
3-cyclohexyloxypropyl 2-methylprop-2-enoate
CID 139688731
1-amino-6-cyclohexyloxy-2-methylhexan-2-ol
CID 64812320
bis(2-cyclohexyloxyethyl) carbonate
CID 139670101
2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanoic acid
CID 106806747

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cycloheptyloxy-2-ethylpentanoic acid?
The IUPAC name of 2-amino-5-cycloheptyloxy-2-ethylpentanoic acid (CID 106806735) is 2-amino-5-cycloheptyloxy-2-ethylpentanoic acid.
What is the SMILES notation for 2-amino-5-cycloheptyloxy-2-ethylpentanoic acid?
The canonical SMILES for 2-amino-5-cycloheptyloxy-2-ethylpentanoic acid is CCC(N)(CCCOC1CCCCCC1)C(=O)O.
What is the InChIKey of 2-amino-5-cycloheptyloxy-2-ethylpentanoic acid?
The InChIKey is CXPLVLKKKWSQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-2-14(15,13(16)17)10-7-11-18-12-8-5-3-4-6-9-12/h12H,2-11,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-5-cycloheptyloxy-2-ethylpentanoic acid?
2-amino-5-cycloheptyloxy-2-ethylpentanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cycloheptyloxy-2-ethylpentanoic acid is sourced from PubChem (CID 106806735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).