ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate

C10H19NO5 — CID 103240342

IUPACethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate
SMILESCCOC(=O)CC(O)CNCCC(=O)OC
InChIInChI=1S/C10H19NO5/c1-3-16-10(14)6-8(12)7-11-5-4-9(13)15-2/h8,11-12H,3-7H2,1-2H3
InChIKeyMWQNDCZYLFSANL-UHFFFAOYSA-N
MW233.26 g/mol
LogP-0.55
Rot. Bonds8

About ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate

ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate (PubChem CID 103240342) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate
PubChem CID103240342
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Nameethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate
SMILESCCOC(=O)CC(O)CNCCC(=O)OC
InChIInChI=1S/C10H19NO5/c1-3-16-10(14)6-8(12)7-11-5-4-9(13)15-2/h8,11-12H,3-7H2,1-2H3
InChIKeyMWQNDCZYLFSANL-UHFFFAOYSA-N
XLogP-0.55
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2-hydroxypropylamino)propanoate
CID 43389838
methyl 3-[(2-hydroxy-3-methoxypropyl)amino]propanoate
CID 63930269
methyl 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanoate
CID 54935728
ethyl 4-[3-(dimethylamino)propylamino]-3-hydroxybutanoate
CID 103235946
ethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate
CID 103235295
1-O-ethyl 8-O-methyl (3R)-3-hydroxyoctanedioate
CID 54453835
ethyl 3-hydroxy-4-(2-thiophen-2-ylethylamino)butanoate
CID 103235530
ethyl 3-[(3-cyclopentyl-2-hydroxypropyl)amino]propanoate
CID 103157624
ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate
CID 103234112
ethyl 3-hydroxy-4-(2-methylsulfanylpropylamino)butanoate
CID 103265433
ethyl 3-hydroxy-4-(3-pyrrolidin-1-ylpropylamino)butanoate
CID 103250625
4-O-ethyl 1-O-methyl butanedioate
CID 522068

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate?
The IUPAC name of ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate (CID 103240342) is ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate is CCOC(=O)CC(O)CNCCC(=O)OC.
What is the InChIKey of ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate?
The InChIKey is MWQNDCZYLFSANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-3-16-10(14)6-8(12)7-11-5-4-9(13)15-2/h8,11-12H,3-7H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate?
ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate has a molecular weight of 233.26 g/mol, XLogP of -0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate is sourced from PubChem (CID 103240342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).