ethyl 2-(cyclopropylamino)-3-(3-methoxy-3-methylbutoxy)propanoate

C14H27NO4 — CID 106666692

IUPACethyl 2-(cyclopropylamino)-3-(3-methoxy-3-methylbutoxy)propanoate
SMILESCCOC(=O)C(COCCC(C)(C)OC)NC1CC1
InChIInChI=1S/C14H27NO4/c1-5-19-13(16)12(15-11-6-7-11)10-18-9-8-14(2,3)17-4/h11-12,15H,5-10H2,1-4H3
InChIKeyQMKBYIHUVXJQKS-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.50
Rot. Bonds10

About ethyl 2-(cyclopropylamino)-3-(3-methoxy-3-methylbutoxy)propanoate

ethyl 2-(cyclopropylamino)-3-(3-methoxy-3-methylbutoxy)propanoate (PubChem CID 106666692) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-3-(3-methoxy-3-methylbutoxy)propanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-3-(3-methoxy-3-methylbutoxy)propanoate
PubChem CID106666692
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nameethyl 2-(cyclopropylamino)-3-(3-methoxy-3-methylbutoxy)propanoate
SMILESCCOC(=O)C(COCCC(C)(C)OC)NC1CC1
InChIInChI=1S/C14H27NO4/c1-5-19-13(16)12(15-11-6-7-11)10-18-9-8-14(2,3)17-4/h11-12,15H,5-10H2,1-4H3
InChIKeyQMKBYIHUVXJQKS-UHFFFAOYSA-N
XLogP1.50
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate
CID 106675932
3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoic acid
CID 106666683
3-(3-methoxy-3-methylbutoxy)-2-(propan-2-ylamino)propanamide
CID 106666791
ethyl 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoate
CID 63039838
ethyl 2-amino-4-(3-methoxy-3-methylbutoxy)butanoate
CID 106666825
2-(cyclopropylamino)-6-(3-methoxy-3-methylbutoxy)-2-methylhexanamide
CID 106666776
methyl 2-(cyclopropylamino)-3-(2,2-difluoroethoxy)propanoate
CID 82007078
methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
CID 106666818
2-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)propanoic acid
CID 82956739
ethyl 6-methoxy-2,6-dimethylheptanoate
CID 118230502
ethyl 2-cyclopropyl-3-(3-methoxy-3-methylbutoxy)-2-(methylamino)propanoate
CID 106666798
ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate
CID 60812555

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-3-(3-methoxy-3-methylbutoxy)propanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-3-(3-methoxy-3-methylbutoxy)propanoate (CID 106666692) is ethyl 2-(cyclopropylamino)-3-(3-methoxy-3-methylbutoxy)propanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-3-(3-methoxy-3-methylbutoxy)propanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-3-(3-methoxy-3-methylbutoxy)propanoate is CCOC(=O)C(COCCC(C)(C)OC)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-3-(3-methoxy-3-methylbutoxy)propanoate?
The InChIKey is QMKBYIHUVXJQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-5-19-13(16)12(15-11-6-7-11)10-18-9-8-14(2,3)17-4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of ethyl 2-(cyclopropylamino)-3-(3-methoxy-3-methylbutoxy)propanoate?
ethyl 2-(cyclopropylamino)-3-(3-methoxy-3-methylbutoxy)propanoate has a molecular weight of 273.37 g/mol, XLogP of 1.50, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-3-(3-methoxy-3-methylbutoxy)propanoate is sourced from PubChem (CID 106666692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).