3-[(3-amino-3-oxopropyl)-(2-hydroxypropyl)amino]propanamide;oxalic acid

C11H21N3O7 — CID 11948751

IUPAC3-[(3-amino-3-oxopropyl)-(2-hydroxypropyl)amino]propanamide;oxalic acid
SMILESCC(O)CN(CCC(N)=O)CCC(N)=O.O=C(O)C(=O)O
InChIInChI=1S/C9H19N3O3.C2H2O4/c1-7(13)6-12(4-2-8(10)14)5-3-9(11)15;3-1(4)2(5)6/h7,13H,2-6H2,1H3,(H2,10,14)(H2,11,15);(H,3,4)(H,5,6)
InChIKeyBIRADGNBXVDGSE-UHFFFAOYSA-N
MW307.30 g/mol
LogP-2.42
Rot. Bonds8

About 3-[(3-amino-3-oxopropyl)-(2-hydroxypropyl)amino]propanamide;oxalic acid

3-[(3-amino-3-oxopropyl)-(2-hydroxypropyl)amino]propanamide;oxalic acid (PubChem CID 11948751) has the molecular formula C11H21N3O7 and a molecular weight of 307.30 g/mol. Its IUPAC name is 3-[(3-amino-3-oxopropyl)-(2-hydroxypropyl)amino]propanamide;oxalic acid.

Molecular Properties

Compound Name3-[(3-amino-3-oxopropyl)-(2-hydroxypropyl)amino]propanamide;oxalic acid
PubChem CID11948751
Molecular FormulaC11H21N3O7
Molecular Weight307.30 g/mol
Exact Mass307.14
IUPAC Name3-[(3-amino-3-oxopropyl)-(2-hydroxypropyl)amino]propanamide;oxalic acid
SMILESCC(O)CN(CCC(N)=O)CCC(N)=O.O=C(O)C(=O)O
InChIInChI=1S/C9H19N3O3.C2H2O4/c1-7(13)6-12(4-2-8(10)14)5-3-9(11)15;3-1(4)2(5)6/h7,13H,2-6H2,1H3,(H2,10,14)(H2,11,15);(H,3,4)(H,5,6)
InChIKeyBIRADGNBXVDGSE-UHFFFAOYSA-N
XLogP-2.42
TPSA184.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 5-2.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Tris-(2-hydroxyethyl) ammonium lactate
CID 57357712
Bis-(2-hydroxyethyl) methylammonium lactate
CID 154724081
Diethyl(2-hydroxyethyl)azanium;2-hydroxypropanoate
CID 3014918
3-[Bis(3-amino-2-hydroxy-3-oxopropyl)amino]-2-hydroxypropanoic acid
CID 21532228
3-[(3-Amino-2-hydroxy-3-oxopropyl)amino]-2-hydroxypropanoic acid
CID 21532229
3-(Diethylamino)-2-hydroxypropanamide
CID 21980929
2-Hydroxy-3-[2-hydroxyethyl(2-hydroxypropanoyl)amino]propanamide
CID 87074892
N-(3-aminopropyl)-2-hydroxypropanamide;oxalic acid
CID 88516904
(2S)-3-(diethylamino)-2-hydroxypropanamide
CID 132070647
Acetic acid;2-[bis(2-hydroxyethyl)amino]ethanol;2,3-dihydroxypropanamide
CID 174382257
3-Aminopropyl-ethyl-dimethylazanium;2-hydroxypropanoate
CID 175510822
3-(3-Acetamidopropanoylamino)-2-hydroxypropanoic acid
CID 66165832

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-3-oxopropyl)-(2-hydroxypropyl)amino]propanamide;oxalic acid?
The IUPAC name of 3-[(3-amino-3-oxopropyl)-(2-hydroxypropyl)amino]propanamide;oxalic acid (CID 11948751) is 3-[(3-amino-3-oxopropyl)-(2-hydroxypropyl)amino]propanamide;oxalic acid.
What is the SMILES notation for 3-[(3-amino-3-oxopropyl)-(2-hydroxypropyl)amino]propanamide;oxalic acid?
The canonical SMILES for 3-[(3-amino-3-oxopropyl)-(2-hydroxypropyl)amino]propanamide;oxalic acid is CC(O)CN(CCC(N)=O)CCC(N)=O.O=C(O)C(=O)O.
What is the InChIKey of 3-[(3-amino-3-oxopropyl)-(2-hydroxypropyl)amino]propanamide;oxalic acid?
The InChIKey is BIRADGNBXVDGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3.C2H2O4/c1-7(13)6-12(4-2-8(10)14)5-3-9(11)15;3-1(4)2(5)6/h7,13H,2-6H2,1H3,(H2,10,14)(H2,11,15);(H,3,4)(H,5,6).
What are the key properties of 3-[(3-amino-3-oxopropyl)-(2-hydroxypropyl)amino]propanamide;oxalic acid?
3-[(3-amino-3-oxopropyl)-(2-hydroxypropyl)amino]propanamide;oxalic acid has a molecular weight of 307.30 g/mol, XLogP of -2.42, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-3-oxopropyl)-(2-hydroxypropyl)amino]propanamide;oxalic acid is sourced from PubChem (CID 11948751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).