ethyl 3-[hydroxy(methyl)amino]-3-oxopropanoate

C6H11NO4 — CID 10057807

IUPACethyl 3-[hydroxy(methyl)amino]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)N(C)O
InChIInChI=1S/C6H11NO4/c1-3-11-6(9)4-5(8)7(2)10/h10H,3-4H2,1-2H3
InChIKeyLXVGROQHCACGAP-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.21
Rot. Bonds3

About ethyl 3-[hydroxy(methyl)amino]-3-oxopropanoate

ethyl 3-[hydroxy(methyl)amino]-3-oxopropanoate (PubChem CID 10057807) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is ethyl 3-[hydroxy(methyl)amino]-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-[hydroxy(methyl)amino]-3-oxopropanoate
PubChem CID10057807
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Nameethyl 3-[hydroxy(methyl)amino]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)N(C)O
InChIInChI=1S/C6H11NO4/c1-3-11-6(9)4-5(8)7(2)10/h10H,3-4H2,1-2H3
InChIKeyLXVGROQHCACGAP-UHFFFAOYSA-N
XLogP-0.21
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethyl propanedioate;titanium
CID 174779178
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N,N'-dihydroxy-N,N'-dimethylpropanediamide
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potassium;diethyl propanedioate;sulfanide
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butane;diethyl propanedioate
CID 87110467
diethyl (Z)-3,6-dioxooct-4-enedioate
CID 141136396
3-O-(3-ethoxy-3-oxopropanoyl) 1-O-ethyl propanedioate
CID 15707103
diethyl propanedioate;3-O-ethyl 1-O-methyl propanedioate
CID 91497468
ethyl 3-[cyclobutyl(methyl)amino]-3-oxopropanoate
CID 115138534
ethyl 3-bromo-3-oxopropanoate
CID 19802399
chromium(2+);ethyl 3-oxobutanoate
CID 19859999
bis(ethyl 3-oxobutanoate);methane
CID 161351489

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[hydroxy(methyl)amino]-3-oxopropanoate?
The IUPAC name of ethyl 3-[hydroxy(methyl)amino]-3-oxopropanoate (CID 10057807) is ethyl 3-[hydroxy(methyl)amino]-3-oxopropanoate.
What is the SMILES notation for ethyl 3-[hydroxy(methyl)amino]-3-oxopropanoate?
The canonical SMILES for ethyl 3-[hydroxy(methyl)amino]-3-oxopropanoate is CCOC(=O)CC(=O)N(C)O.
What is the InChIKey of ethyl 3-[hydroxy(methyl)amino]-3-oxopropanoate?
The InChIKey is LXVGROQHCACGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-3-11-6(9)4-5(8)7(2)10/h10H,3-4H2,1-2H3.
What are the key properties of ethyl 3-[hydroxy(methyl)amino]-3-oxopropanoate?
ethyl 3-[hydroxy(methyl)amino]-3-oxopropanoate has a molecular weight of 161.16 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[hydroxy(methyl)amino]-3-oxopropanoate is sourced from PubChem (CID 10057807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).