ethyl (2R)-4-acetyloxy-2-[(2-ethoxy-2-oxoethyl)amino]butanoate

C12H21NO6 — CID 87760013

IUPACethyl (2R)-4-acetyloxy-2-[(2-ethoxy-2-oxoethyl)amino]butanoate
SMILESCCOC(=O)CN[C@H](CCOC(C)=O)C(=O)OCC
InChIInChI=1S/C12H21NO6/c1-4-17-11(15)8-13-10(12(16)18-5-2)6-7-19-9(3)14/h10,13H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyBSFQGMSFQTUZOA-SNVBAGLBSA-N
MW275.30 g/mol
LogP0.02
Rot. Bonds9

About ethyl (2R)-4-acetyloxy-2-[(2-ethoxy-2-oxoethyl)amino]butanoate

ethyl (2R)-4-acetyloxy-2-[(2-ethoxy-2-oxoethyl)amino]butanoate (PubChem CID 87760013) has the molecular formula C12H21NO6 and a molecular weight of 275.30 g/mol. Its IUPAC name is ethyl (2R)-4-acetyloxy-2-[(2-ethoxy-2-oxoethyl)amino]butanoate.

Molecular Properties

Compound Nameethyl (2R)-4-acetyloxy-2-[(2-ethoxy-2-oxoethyl)amino]butanoate
PubChem CID87760013
Molecular FormulaC12H21NO6
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC Nameethyl (2R)-4-acetyloxy-2-[(2-ethoxy-2-oxoethyl)amino]butanoate
SMILESCCOC(=O)CN[C@H](CCOC(C)=O)C(=O)OCC
InChIInChI=1S/C12H21NO6/c1-4-17-11(15)8-13-10(12(16)18-5-2)6-7-19-9(3)14/h10,13H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyBSFQGMSFQTUZOA-SNVBAGLBSA-N
XLogP0.02
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-acetyloxy-2-(propylamino)butanoic acid
CID 150823529
ethyl 2-(ethylamino)-4-methoxybutanoate
CID 63041386
diethyl 2-(4-acetyloxybutanoylamino)butanedioate
CID 58975704
ethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate
CID 63686784
ethyl 2-(1-chloroethylamino)acetate
CID 123739956
3-sulfanylhexyl acetate
CID 518810
ethyl 2-(propylamino)pentanoate
CID 21021838
ethyl 2-hydroxypropanoate;3-methylbutyl acetate
CID 159025256
ethyl 2-(6-hydroxyhexan-2-ylamino)acetate
CID 22677733
ethyl hexadecanoate;ethyl pentanoate;3-methylbutyl acetate
CID 159077552
methyl 3-azido-2-[(2-ethoxy-2-oxoethyl)amino]propanoate
CID 75040874
ethyl 2-acetamido-4-methoxybutanoate
CID 137321070

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-4-acetyloxy-2-[(2-ethoxy-2-oxoethyl)amino]butanoate?
The IUPAC name of ethyl (2R)-4-acetyloxy-2-[(2-ethoxy-2-oxoethyl)amino]butanoate (CID 87760013) is ethyl (2R)-4-acetyloxy-2-[(2-ethoxy-2-oxoethyl)amino]butanoate.
What is the SMILES notation for ethyl (2R)-4-acetyloxy-2-[(2-ethoxy-2-oxoethyl)amino]butanoate?
The canonical SMILES for ethyl (2R)-4-acetyloxy-2-[(2-ethoxy-2-oxoethyl)amino]butanoate is CCOC(=O)CN[C@H](CCOC(C)=O)C(=O)OCC.
What is the InChIKey of ethyl (2R)-4-acetyloxy-2-[(2-ethoxy-2-oxoethyl)amino]butanoate?
The InChIKey is BSFQGMSFQTUZOA-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21NO6/c1-4-17-11(15)8-13-10(12(16)18-5-2)6-7-19-9(3)14/h10,13H,4-8H2,1-3H3/t10-/m1/s1.
What are the key properties of ethyl (2R)-4-acetyloxy-2-[(2-ethoxy-2-oxoethyl)amino]butanoate?
ethyl (2R)-4-acetyloxy-2-[(2-ethoxy-2-oxoethyl)amino]butanoate has a molecular weight of 275.30 g/mol, XLogP of 0.02, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-4-acetyloxy-2-[(2-ethoxy-2-oxoethyl)amino]butanoate is sourced from PubChem (CID 87760013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).