ethyl 3-[hydroxy(oxido)amino]propanoate

C5H10NO4- — CID 163126069

IUPACethyl 3-[hydroxy(oxido)amino]propanoate
SMILESCCOC(=O)CCN([O-])O
InChIInChI=1S/C5H10NO4/c1-2-10-5(7)3-4-6(8)9/h8H,2-4H2,1H3/q-1
InChIKeyXHCKGHVRHAABBT-UHFFFAOYSA-N
MW148.14 g/mol
LogP0.13
Rot. Bonds4

About ethyl 3-[hydroxy(oxido)amino]propanoate

ethyl 3-[hydroxy(oxido)amino]propanoate (PubChem CID 163126069) has the molecular formula C5H10NO4- and a molecular weight of 148.14 g/mol. Its IUPAC name is ethyl 3-[hydroxy(oxido)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[hydroxy(oxido)amino]propanoate
PubChem CID163126069
Molecular FormulaC5H10NO4-
Molecular Weight148.14 g/mol
Exact Mass148.06
IUPAC Nameethyl 3-[hydroxy(oxido)amino]propanoate
SMILESCCOC(=O)CCN([O-])O
InChIInChI=1S/C5H10NO4/c1-2-10-5(7)3-4-6(8)9/h8H,2-4H2,1H3/q-1
InChIKeyXHCKGHVRHAABBT-UHFFFAOYSA-N
XLogP0.13
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 87322437
ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate
CID 11368942
ethyl 3-[butyl(hydroxy)amino]propanoate
CID 89001545
ethyl 5-[methyl(oxido)amino]pentanoate
CID 163754429
ethyl 3-[[3-(ethylamino)-3-oxopropyl]-methylamino]propanoate
CID 62326480
ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate
CID 62012804
ethyl 3-[acetyl(dimethylamino)amino]propanoate
CID 3024684
diethyl hexanedioate
CID 160747628
ethyl (1,2-13C2)butanoate
CID 157463359
ethyl butanoate
CID 7762
ethyl 3-(dihydroxyamino)oxypropanoate
CID 88938903
ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 151749760

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[hydroxy(oxido)amino]propanoate?
The IUPAC name of ethyl 3-[hydroxy(oxido)amino]propanoate (CID 163126069) is ethyl 3-[hydroxy(oxido)amino]propanoate.
What is the SMILES notation for ethyl 3-[hydroxy(oxido)amino]propanoate?
The canonical SMILES for ethyl 3-[hydroxy(oxido)amino]propanoate is CCOC(=O)CCN([O-])O.
What is the InChIKey of ethyl 3-[hydroxy(oxido)amino]propanoate?
The InChIKey is XHCKGHVRHAABBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO4/c1-2-10-5(7)3-4-6(8)9/h8H,2-4H2,1H3/q-1.
What are the key properties of ethyl 3-[hydroxy(oxido)amino]propanoate?
ethyl 3-[hydroxy(oxido)amino]propanoate has a molecular weight of 148.14 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[hydroxy(oxido)amino]propanoate is sourced from PubChem (CID 163126069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).