ethyl 2-amino-3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-oxopropanoate

C11H23N3O4 — CID 106148353

IUPACethyl 2-amino-3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-oxopropanoate
SMILESCCOC(=O)C(N)C(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C11H23N3O4/c1-5-18-10(16)8(12)9(15)13-6-11(2,17)7-14(3)4/h8,17H,5-7,12H2,1-4H3,(H,13,15)
InChIKeyOYVNSDDIOIDULD-UHFFFAOYSA-N
MW261.32 g/mol
LogP-1.69
Rot. Bonds7

About ethyl 2-amino-3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-oxopropanoate

ethyl 2-amino-3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-oxopropanoate (PubChem CID 106148353) has the molecular formula C11H23N3O4 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 2-amino-3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-oxopropanoate
PubChem CID106148353
Molecular FormulaC11H23N3O4
Molecular Weight261.32 g/mol
Exact Mass261.17
IUPAC Nameethyl 2-amino-3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-oxopropanoate
SMILESCCOC(=O)C(N)C(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C11H23N3O4/c1-5-18-10(16)8(12)9(15)13-6-11(2,17)7-14(3)4/h8,17H,5-7,12H2,1-4H3,(H,13,15)
InChIKeyOYVNSDDIOIDULD-UHFFFAOYSA-N
XLogP-1.69
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-4-oxobutanoate
CID 103839873
ethyl 2-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropanoate
CID 114167338
ethyl 2-amino-3-[(2,2-difluoro-3-hydroxypropyl)amino]-3-oxopropanoate
CID 106176979
2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-phenylacetamide
CID 106148425
2-acetamido-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbutanamide
CID 103839615
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylpentanamide
CID 103525819
(2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pentanamide
CID 103813226
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyacetamide
CID 103840231
2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylpropanamide
CID 106146098
ethyl 2-amino-3-(3-methylpentan-3-ylamino)-3-oxopropanoate
CID 106328522
3-amino-3-cyclopropyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 114150174
ethyl 2-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethoxy]acetate
CID 114150258

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-oxopropanoate?
The IUPAC name of ethyl 2-amino-3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-oxopropanoate (CID 106148353) is ethyl 2-amino-3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-oxopropanoate.
What is the SMILES notation for ethyl 2-amino-3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-oxopropanoate?
The canonical SMILES for ethyl 2-amino-3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-oxopropanoate is CCOC(=O)C(N)C(=O)NCC(C)(O)CN(C)C.
What is the InChIKey of ethyl 2-amino-3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-oxopropanoate?
The InChIKey is OYVNSDDIOIDULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4/c1-5-18-10(16)8(12)9(15)13-6-11(2,17)7-14(3)4/h8,17H,5-7,12H2,1-4H3,(H,13,15).
What are the key properties of ethyl 2-amino-3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-oxopropanoate?
ethyl 2-amino-3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-oxopropanoate has a molecular weight of 261.32 g/mol, XLogP of -1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-oxopropanoate is sourced from PubChem (CID 106148353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).