ethyl 2-amino-2-cyclopropyl-3-hexoxypropanoate

C14H27NO3 — CID 63921508

IUPACethyl 2-amino-2-cyclopropyl-3-hexoxypropanoate
SMILESCCCCCCOCC(N)(C(=O)OCC)C1CC1
InChIInChI=1S/C14H27NO3/c1-3-5-6-7-10-17-11-14(15,12-8-9-12)13(16)18-4-2/h12H,3-11,15H2,1-2H3
InChIKeyWKUPTDKHPVFDJY-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.25
Rot. Bonds10

About ethyl 2-amino-2-cyclopropyl-3-hexoxypropanoate

ethyl 2-amino-2-cyclopropyl-3-hexoxypropanoate (PubChem CID 63921508) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is ethyl 2-amino-2-cyclopropyl-3-hexoxypropanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclopropyl-3-hexoxypropanoate
PubChem CID63921508
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameethyl 2-amino-2-cyclopropyl-3-hexoxypropanoate
SMILESCCCCCCOCC(N)(C(=O)OCC)C1CC1
InChIInChI=1S/C14H27NO3/c1-3-5-6-7-10-17-11-14(15,12-8-9-12)13(16)18-4-2/h12H,3-11,15H2,1-2H3
InChIKeyWKUPTDKHPVFDJY-UHFFFAOYSA-N
XLogP2.25
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-2-cyclopropyl-3-heptoxypropanoate
CID 63921710
ethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 104565266
ethyl 2-cyclopropyl-3-heptoxy-2-(methylamino)propanoate
CID 63921121
ethyl 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanoate
CID 63919943
ethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate
CID 63920206
methyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate
CID 103404790
1-amino-2-cyclopropyl-3-hexoxypropan-2-ol
CID 64814184
2-cyclopropyl-2-(ethylamino)-3-heptoxypropanamide
CID 63921120
ethyl 2-amino-2-cyclopropyl-3-[ethyl(methyl)amino]propanoate
CID 63906608
2-cyclopropyl-2-(cyclopropylamino)-3-heptoxypropanamide
CID 63920728
2-cyclopropyl-3-octoxy-2-(propylamino)propanamide
CID 63921706
2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanamide
CID 63918759

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-cyclopropyl-3-hexoxypropanoate?
The IUPAC name of ethyl 2-amino-2-cyclopropyl-3-hexoxypropanoate (CID 63921508) is ethyl 2-amino-2-cyclopropyl-3-hexoxypropanoate.
What is the SMILES notation for ethyl 2-amino-2-cyclopropyl-3-hexoxypropanoate?
The canonical SMILES for ethyl 2-amino-2-cyclopropyl-3-hexoxypropanoate is CCCCCCOCC(N)(C(=O)OCC)C1CC1.
What is the InChIKey of ethyl 2-amino-2-cyclopropyl-3-hexoxypropanoate?
The InChIKey is WKUPTDKHPVFDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-3-5-6-7-10-17-11-14(15,12-8-9-12)13(16)18-4-2/h12H,3-11,15H2,1-2H3.
What are the key properties of ethyl 2-amino-2-cyclopropyl-3-hexoxypropanoate?
ethyl 2-amino-2-cyclopropyl-3-hexoxypropanoate has a molecular weight of 257.37 g/mol, XLogP of 2.25, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-cyclopropyl-3-hexoxypropanoate is sourced from PubChem (CID 63921508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).