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

C13H25N3O4 — CID 82326803

IUPAC3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CCCN1CCOCC1)CC(N)=O)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-11(13(18)19)9-16(10-12(14)17)4-2-3-15-5-7-20-8-6-15/h11H,2-10H2,1H3,(H2,14,17)(H,18,19)
InChIKeyHUJRRSGGMXXGOV-UHFFFAOYSA-N
MW287.36 g/mol
LogP-0.78
Rot. Bonds9

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

3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]-2-methylpropanoic acid (PubChem CID 82326803) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]-2-methylpropanoic acid
PubChem CID82326803
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CCCN1CCOCC1)CC(N)=O)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-11(13(18)19)9-16(10-12(14)17)4-2-3-15-5-7-20-8-6-15/h11H,2-10H2,1H3,(H2,14,17)(H,18,19)
InChIKeyHUJRRSGGMXXGOV-UHFFFAOYSA-N
XLogP-0.78
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]propanoic acid
CID 82326743
2-methyl-5-morpholin-4-ylpentanoic acid
CID 20751269
3-[(2-amino-2-oxoethyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82326833
2-amino-3-[3-morpholin-4-ylpropyl(sulfamoyl)amino]propanoic acid
CID 67154681
3-[cyclopentyl(2-morpholin-4-ylethyl)amino]-2-methylpropanoic acid
CID 82330480
N-carbamoyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 144630529
3-[3-morpholin-4-ylpropyl(propan-2-yl)amino]propanoic acid
CID 82328609
ethane;3-morpholin-4-ylpropyl 2-methylpropanoate
CID 172564142
3-[methyl(3-morpholin-4-ylpropyl)amino]propanoic acid
CID 82328722
2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
CID 6603192
2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid
CID 82320054
3-[2-hydroxyethyl(3-morpholin-4-ylpropyl)amino]propan-1-ol
CID 23551083

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]-2-methylpropanoic acid (CID 82326803) is 3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]-2-methylpropanoic acid is CC(CN(CCCN1CCOCC1)CC(N)=O)C(=O)O.
What is the InChIKey of 3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]-2-methylpropanoic acid?
The InChIKey is HUJRRSGGMXXGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-11(13(18)19)9-16(10-12(14)17)4-2-3-15-5-7-20-8-6-15/h11H,2-10H2,1H3,(H2,14,17)(H,18,19).
What are the key properties of 3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]-2-methylpropanoic acid?
3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]-2-methylpropanoic acid has a molecular weight of 287.36 g/mol, XLogP of -0.78, 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]-2-methylpropanoic acid is sourced from PubChem (CID 82326803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).