ethyl 3-(cyclopropylmethylamino)propanoate

C9H17NO2 — CID 15428818

IUPACethyl 3-(cyclopropylmethylamino)propanoate
SMILESCCOC(=O)CCNCC1CC1
InChIInChI=1S/C9H17NO2/c1-2-12-9(11)5-6-10-7-8-3-4-8/h8,10H,2-7H2,1H3
InChIKeyLJZXBBGJVOZLGH-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds6

About ethyl 3-(cyclopropylmethylamino)propanoate

ethyl 3-(cyclopropylmethylamino)propanoate (PubChem CID 15428818) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl 3-(cyclopropylmethylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(cyclopropylmethylamino)propanoate
PubChem CID15428818
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl 3-(cyclopropylmethylamino)propanoate
SMILESCCOC(=O)CCNCC1CC1
InChIInChI=1S/C9H17NO2/c1-2-12-9(11)5-6-10-7-8-3-4-8/h8,10H,2-7H2,1H3
InChIKeyLJZXBBGJVOZLGH-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 3-((propan-2-yl)amino)propanoate
CID 12636111
Diethyl 3,3'-Iminodipropionate
CID 352310
Ethyl 3-(cyclopropylamino)propanoate
CID 13456042
Ethyl 3-(cyclopropylamino)-2-methylpropanoate
CID 61717320
Methyl 3-(butylamino)propanoate
CID 15828524
Ethyl 3-(tert-butylamino)propanoate
CID 3804063
beta-Alanine, N-isobutyryl-, ethyl ester
CID 22954027
Methyl 3-(butylamino)-2-methylpropanoate
CID 240905
Methyl 3-[(2-ethoxyethyl)amino]-2-methylpropanoate
CID 13614327
Ethyl 3-(propylamino)propanoate
CID 14542866
Ethyl 3-(cyclopropylamino)butanoate
CID 61717813
beta-Alanine, N-isobutyryl-, propyl ester
CID 91691842

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclopropylmethylamino)propanoate?
The IUPAC name of ethyl 3-(cyclopropylmethylamino)propanoate (CID 15428818) is ethyl 3-(cyclopropylmethylamino)propanoate.
What is the SMILES notation for ethyl 3-(cyclopropylmethylamino)propanoate?
The canonical SMILES for ethyl 3-(cyclopropylmethylamino)propanoate is CCOC(=O)CCNCC1CC1.
What is the InChIKey of ethyl 3-(cyclopropylmethylamino)propanoate?
The InChIKey is LJZXBBGJVOZLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-12-9(11)5-6-10-7-8-3-4-8/h8,10H,2-7H2,1H3.
What are the key properties of ethyl 3-(cyclopropylmethylamino)propanoate?
ethyl 3-(cyclopropylmethylamino)propanoate has a molecular weight of 171.24 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclopropylmethylamino)propanoate is sourced from PubChem (CID 15428818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).