1-O-amino 3-O-(diethylamino) propanedioate

C7H14N2O4 — CID 174719636

IUPAC1-O-amino 3-O-(diethylamino) propanedioate
SMILESCCN(CC)OC(=O)CC(=O)ON
InChIInChI=1S/C7H14N2O4/c1-3-9(4-2)13-7(11)5-6(10)12-8/h3-5,8H2,1-2H3
InChIKeyHGPOGZAKAKEOGV-UHFFFAOYSA-N
MW190.20 g/mol
LogP-0.41
Rot. Bonds5

About 1-O-amino 3-O-(diethylamino) propanedioate

1-O-amino 3-O-(diethylamino) propanedioate (PubChem CID 174719636) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-O-amino 3-O-(diethylamino) propanedioate.

Molecular Properties

Compound Name1-O-amino 3-O-(diethylamino) propanedioate
PubChem CID174719636
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name1-O-amino 3-O-(diethylamino) propanedioate
SMILESCCN(CC)OC(=O)CC(=O)ON
InChIInChI=1S/C7H14N2O4/c1-3-9(4-2)13-7(11)5-6(10)12-8/h3-5,8H2,1-2H3
InChIKeyHGPOGZAKAKEOGV-UHFFFAOYSA-N
XLogP-0.41
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(diethylamino) hexanedioate
CID 18954541
diethylamino 2-amino-2-oxoacetate
CID 123923586
[(3-amino-3-oxopropanoyl)oxy-ethylamino] 3-amino-3-oxopropanoate;hydrochloride
CID 88751629
3-(dipropylamino)oxy-3-oxopropanoic acid
CID 19919367
diethyl propanedioate;3-O-ethyl 1-O-methyl propanedioate
CID 91497468
CID 87726616
CID 87726616
diethyl propanedioate;titanium
CID 174779178
diethyl propanedioate;ethane
CID 123991095
potassium;diethyl propanedioate;sulfanide
CID 159289328
bis(acetyloxymethyl) propanedioate
CID 59124845
butane;diethyl propanedioate
CID 87110467
amino butanoate;2-methylprop-2-enoic acid
CID 174862062

Frequently Asked Questions

What is the IUPAC name of 1-O-amino 3-O-(diethylamino) propanedioate?
The IUPAC name of 1-O-amino 3-O-(diethylamino) propanedioate (CID 174719636) is 1-O-amino 3-O-(diethylamino) propanedioate.
What is the SMILES notation for 1-O-amino 3-O-(diethylamino) propanedioate?
The canonical SMILES for 1-O-amino 3-O-(diethylamino) propanedioate is CCN(CC)OC(=O)CC(=O)ON.
What is the InChIKey of 1-O-amino 3-O-(diethylamino) propanedioate?
The InChIKey is HGPOGZAKAKEOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-3-9(4-2)13-7(11)5-6(10)12-8/h3-5,8H2,1-2H3.
What are the key properties of 1-O-amino 3-O-(diethylamino) propanedioate?
1-O-amino 3-O-(diethylamino) propanedioate has a molecular weight of 190.20 g/mol, XLogP of -0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-amino 3-O-(diethylamino) propanedioate is sourced from PubChem (CID 174719636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).