ethyl 2-amino-3-(2-cyclopropylethoxy)propanoate

C10H19NO3 — CID 106204429

IUPACethyl 2-amino-3-(2-cyclopropylethoxy)propanoate
SMILESCCOC(=O)C(N)COCCC1CC1
InChIInChI=1S/C10H19NO3/c1-2-14-10(12)9(11)7-13-6-5-8-3-4-8/h8-9H,2-7,11H2,1H3
InChIKeyBXCCEAFSLOLDLW-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.69
Rot. Bonds7

About ethyl 2-amino-3-(2-cyclopropylethoxy)propanoate

ethyl 2-amino-3-(2-cyclopropylethoxy)propanoate (PubChem CID 106204429) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 2-amino-3-(2-cyclopropylethoxy)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2-cyclopropylethoxy)propanoate
PubChem CID106204429
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 2-amino-3-(2-cyclopropylethoxy)propanoate
SMILESCCOC(=O)C(N)COCCC1CC1
InChIInChI=1S/C10H19NO3/c1-2-14-10(12)9(11)7-13-6-5-8-3-4-8/h8-9H,2-7,11H2,1H3
InChIKeyBXCCEAFSLOLDLW-UHFFFAOYSA-N
XLogP0.69
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.69
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

2-cyclopropylethyl 2-aminobutanoate
CID 106202655
1-(2-cyclopropylethoxy)propan-2-amine
CID 106200486
ethyl (2S)-2-amino-3-methoxypropanoate
CID 55285113
methyl 2-amino-4-(2-cyclopropylethoxy)butanoate
CID 106204239
2-cyclopropylethyl 2-amino-4-methoxybutanoate
CID 106202740
3-(2-cyclopropylethoxy)-2-(propylamino)propanoic acid
CID 106204336
(2S)-1-(2-cyclopropylethoxy)propan-2-ol
CID 106203926
3-(2-cyclopropylethoxy)-2-ethoxypropan-1-amine
CID 106200247
diethyl 2-[2-(oxan-4-yl)ethoxy]propanedioate
CID 67554415
4-cyclopropyl-2-ethoxycarbonylbutanoic acid
CID 103973612
2-cyclopropylethyl (2S,3S)-2-amino-3-methylpentanoate
CID 106202505
2-cyclopropylethyl 2-amino-3-methylpentanoate
CID 106202709

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2-cyclopropylethoxy)propanoate?
The IUPAC name of ethyl 2-amino-3-(2-cyclopropylethoxy)propanoate (CID 106204429) is ethyl 2-amino-3-(2-cyclopropylethoxy)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(2-cyclopropylethoxy)propanoate?
The canonical SMILES for ethyl 2-amino-3-(2-cyclopropylethoxy)propanoate is CCOC(=O)C(N)COCCC1CC1.
What is the InChIKey of ethyl 2-amino-3-(2-cyclopropylethoxy)propanoate?
The InChIKey is BXCCEAFSLOLDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-14-10(12)9(11)7-13-6-5-8-3-4-8/h8-9H,2-7,11H2,1H3.
What are the key properties of ethyl 2-amino-3-(2-cyclopropylethoxy)propanoate?
ethyl 2-amino-3-(2-cyclopropylethoxy)propanoate has a molecular weight of 201.27 g/mol, XLogP of 0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(2-cyclopropylethoxy)propanoate is sourced from PubChem (CID 106204429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).