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

C13H26N2O3 — CID 82328609

IUPAC3-[3-morpholin-4-ylpropyl(propan-2-yl)amino]propanoic acid
SMILESCC(C)N(CCCN1CCOCC1)CCC(=O)O
InChIInChI=1S/C13H26N2O3/c1-12(2)15(7-4-13(16)17)6-3-5-14-8-10-18-11-9-14/h12H,3-11H2,1-2H3,(H,16,17)
InChIKeyJNRMGPGRDSOLRF-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.89
Rot. Bonds8

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

3-[3-morpholin-4-ylpropyl(propan-2-yl)amino]propanoic acid (PubChem CID 82328609) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-[3-morpholin-4-ylpropyl(propan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[3-morpholin-4-ylpropyl(propan-2-yl)amino]propanoic acid
PubChem CID82328609
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name3-[3-morpholin-4-ylpropyl(propan-2-yl)amino]propanoic acid
SMILESCC(C)N(CCCN1CCOCC1)CCC(=O)O
InChIInChI=1S/C13H26N2O3/c1-12(2)15(7-4-13(16)17)6-3-5-14-8-10-18-11-9-14/h12H,3-11H2,1-2H3,(H,16,17)
InChIKeyJNRMGPGRDSOLRF-UHFFFAOYSA-N
XLogP0.89
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(3-morpholin-4-ylpropyl)amino]propanoic acid
CID 82328722
3-[methyl(2-morpholin-4-ylethyl)amino]propanoic acid
CID 60987134
3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]propanoic acid
CID 82326743
2-methyl-5-morpholin-4-ylpentanoic acid
CID 20751269
2-amino-3-[3-morpholin-4-ylpropyl(sulfamoyl)amino]propanoic acid
CID 67154681
3-(2-morpholin-4-ylethylamino)propanoic acid
CID 28830354
2-[butan-2-yl(3-morpholin-4-ylpropylcarbamoyl)amino]acetic acid
CID 61195973
3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]-2-methylpropanoic acid
CID 82326803
5-(2-morpholin-4-ylethylamino)pentanoic acid
CID 103235757
ethyl 2-[2-morpholin-4-ylethyl(propan-2-yl)amino]acetate
CID 62027191
6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid
CID 61194288
2-(6-morpholin-4-ylhexyl)-3-propan-2-ylbut-2-enedioic acid
CID 154077710

Frequently Asked Questions

What is the IUPAC name of 3-[3-morpholin-4-ylpropyl(propan-2-yl)amino]propanoic acid?
The IUPAC name of 3-[3-morpholin-4-ylpropyl(propan-2-yl)amino]propanoic acid (CID 82328609) is 3-[3-morpholin-4-ylpropyl(propan-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[3-morpholin-4-ylpropyl(propan-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[3-morpholin-4-ylpropyl(propan-2-yl)amino]propanoic acid is CC(C)N(CCCN1CCOCC1)CCC(=O)O.
What is the InChIKey of 3-[3-morpholin-4-ylpropyl(propan-2-yl)amino]propanoic acid?
The InChIKey is JNRMGPGRDSOLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-12(2)15(7-4-13(16)17)6-3-5-14-8-10-18-11-9-14/h12H,3-11H2,1-2H3,(H,16,17).
What are the key properties of 3-[3-morpholin-4-ylpropyl(propan-2-yl)amino]propanoic acid?
3-[3-morpholin-4-ylpropyl(propan-2-yl)amino]propanoic acid has a molecular weight of 258.36 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-morpholin-4-ylpropyl(propan-2-yl)amino]propanoic acid is sourced from PubChem (CID 82328609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).