2-methoxyethyl 3-(cyclopropylamino)propanoate

C9H17NO3 — CID 61301679

IUPAC2-methoxyethyl 3-(cyclopropylamino)propanoate
SMILESCOCCOC(=O)CCNC1CC1
InChIInChI=1S/C9H17NO3/c1-12-6-7-13-9(11)4-5-10-8-2-3-8/h8,10H,2-7H2,1H3
InChIKeyJEPURKHQNQUTSB-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.32
Rot. Bonds7

About 2-methoxyethyl 3-(cyclopropylamino)propanoate

2-methoxyethyl 3-(cyclopropylamino)propanoate (PubChem CID 61301679) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-methoxyethyl 3-(cyclopropylamino)propanoate.

Molecular Properties

Compound Name2-methoxyethyl 3-(cyclopropylamino)propanoate
PubChem CID61301679
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-methoxyethyl 3-(cyclopropylamino)propanoate
SMILESCOCCOC(=O)CCNC1CC1
InChIInChI=1S/C9H17NO3/c1-12-6-7-13-9(11)4-5-10-8-2-3-8/h8,10H,2-7H2,1H3
InChIKeyJEPURKHQNQUTSB-UHFFFAOYSA-N
XLogP0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.32
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-(cyclopropylamino)propanoate?
The IUPAC name of 2-methoxyethyl 3-(cyclopropylamino)propanoate (CID 61301679) is 2-methoxyethyl 3-(cyclopropylamino)propanoate.
What is the SMILES notation for 2-methoxyethyl 3-(cyclopropylamino)propanoate?
The canonical SMILES for 2-methoxyethyl 3-(cyclopropylamino)propanoate is COCCOC(=O)CCNC1CC1.
What is the InChIKey of 2-methoxyethyl 3-(cyclopropylamino)propanoate?
The InChIKey is JEPURKHQNQUTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-12-6-7-13-9(11)4-5-10-8-2-3-8/h8,10H,2-7H2,1H3.
What are the key properties of 2-methoxyethyl 3-(cyclopropylamino)propanoate?
2-methoxyethyl 3-(cyclopropylamino)propanoate has a molecular weight of 187.24 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3-(cyclopropylamino)propanoate is sourced from PubChem (CID 61301679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).