3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]propanoic acid

C12H23N3O4 — CID 82326743

IUPAC3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]propanoic acid
SMILESNC(=O)CN(CCCN1CCOCC1)CCC(=O)O
InChIInChI=1S/C12H23N3O4/c13-11(16)10-15(5-2-12(17)18)4-1-3-14-6-8-19-9-7-14/h1-10H2,(H2,13,16)(H,17,18)
InChIKeyOEKNEMOWCLIHSU-UHFFFAOYSA-N
MW273.33 g/mol
LogP-1.03
Rot. Bonds9

About 3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]propanoic acid

3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]propanoic acid (PubChem CID 82326743) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]propanoic acid
PubChem CID82326743
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]propanoic acid
SMILESNC(=O)CN(CCCN1CCOCC1)CCC(=O)O
InChIInChI=1S/C12H23N3O4/c13-11(16)10-15(5-2-12(17)18)4-1-3-14-6-8-19-9-7-14/h1-10H2,(H2,13,16)(H,17,18)
InChIKeyOEKNEMOWCLIHSU-UHFFFAOYSA-N
XLogP-1.03
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]-2-methylpropanoic acid
CID 82326803
3-[methyl(3-morpholin-4-ylpropyl)amino]propanoic acid
CID 82328722
3-[3-morpholin-4-ylpropyl(propan-2-yl)amino]propanoic acid
CID 82328609
3-[methyl(2-morpholin-4-ylethyl)amino]propanoic acid
CID 60987134
N-carbamoyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 144630529
5-morpholin-4-ylpentanehydrazide
CID 63570305
3-(2-morpholin-4-ylethylamino)propanoic acid
CID 28830354
3-[2-hydroxyethyl(3-morpholin-4-ylpropyl)amino]propan-1-ol
CID 23551083
3-[2-morpholin-4-ylethyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82330460
5-(2-morpholin-4-ylethylamino)pentanoic acid
CID 103235757
6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid
CID 61194288
6-(2-morpholin-4-ylethoxy)hexanamide
CID 67176571

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]propanoic acid?
The IUPAC name of 3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]propanoic acid (CID 82326743) is 3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]propanoic acid is NC(=O)CN(CCCN1CCOCC1)CCC(=O)O.
What is the InChIKey of 3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]propanoic acid?
The InChIKey is OEKNEMOWCLIHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c13-11(16)10-15(5-2-12(17)18)4-1-3-14-6-8-19-9-7-14/h1-10H2,(H2,13,16)(H,17,18).
What are the key properties of 3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]propanoic acid?
3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]propanoic acid has a molecular weight of 273.33 g/mol, XLogP of -1.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]propanoic acid is sourced from PubChem (CID 82326743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).