ethyl 2-amino-2-cyclopropyl-3-heptoxypropanoate

C15H29NO3 — CID 63921710

IUPACethyl 2-amino-2-cyclopropyl-3-heptoxypropanoate
SMILESCCCCCCCOCC(N)(C(=O)OCC)C1CC1
InChIInChI=1S/C15H29NO3/c1-3-5-6-7-8-11-18-12-15(16,13-9-10-13)14(17)19-4-2/h13H,3-12,16H2,1-2H3
InChIKeyLCTHDYUBMNYCKB-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.64
Rot. Bonds11

About ethyl 2-amino-2-cyclopropyl-3-heptoxypropanoate

ethyl 2-amino-2-cyclopropyl-3-heptoxypropanoate (PubChem CID 63921710) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is ethyl 2-amino-2-cyclopropyl-3-heptoxypropanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclopropyl-3-heptoxypropanoate
PubChem CID63921710
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nameethyl 2-amino-2-cyclopropyl-3-heptoxypropanoate
SMILESCCCCCCCOCC(N)(C(=O)OCC)C1CC1
InChIInChI=1S/C15H29NO3/c1-3-5-6-7-8-11-18-12-15(16,13-9-10-13)14(17)19-4-2/h13H,3-12,16H2,1-2H3
InChIKeyLCTHDYUBMNYCKB-UHFFFAOYSA-N
XLogP2.64
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.64
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-hexoxypropanoate
CID 63921508
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-heptoxypropanoate?
The IUPAC name of ethyl 2-amino-2-cyclopropyl-3-heptoxypropanoate (CID 63921710) is ethyl 2-amino-2-cyclopropyl-3-heptoxypropanoate.
What is the SMILES notation for ethyl 2-amino-2-cyclopropyl-3-heptoxypropanoate?
The canonical SMILES for ethyl 2-amino-2-cyclopropyl-3-heptoxypropanoate is CCCCCCCOCC(N)(C(=O)OCC)C1CC1.
What is the InChIKey of ethyl 2-amino-2-cyclopropyl-3-heptoxypropanoate?
The InChIKey is LCTHDYUBMNYCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-3-5-6-7-8-11-18-12-15(16,13-9-10-13)14(17)19-4-2/h13H,3-12,16H2,1-2H3.
What are the key properties of ethyl 2-amino-2-cyclopropyl-3-heptoxypropanoate?
ethyl 2-amino-2-cyclopropyl-3-heptoxypropanoate has a molecular weight of 271.40 g/mol, XLogP of 2.64, 11 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-heptoxypropanoate is sourced from PubChem (CID 63921710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).