3-[(2-amino-2-oxoethyl)-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid

C13H27N3O3 — CID 82326827

IUPAC3-[(2-amino-2-oxoethyl)-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid
SMILESCCN(CC)CCCN(CC(N)=O)CC(C)C(=O)O
InChIInChI=1S/C13H27N3O3/c1-4-15(5-2)7-6-8-16(10-12(14)17)9-11(3)13(18)19/h11H,4-10H2,1-3H3,(H2,14,17)(H,18,19)
InChIKeyYEACJODMBCCTON-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.23
Rot. Bonds11

About 3-[(2-amino-2-oxoethyl)-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid

3-[(2-amino-2-oxoethyl)-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid (PubChem CID 82326827) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[(2-amino-2-oxoethyl)-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-amino-2-oxoethyl)-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid
PubChem CID82326827
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name3-[(2-amino-2-oxoethyl)-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid
SMILESCCN(CC)CCCN(CC(N)=O)CC(C)C(=O)O
InChIInChI=1S/C13H27N3O3/c1-4-15(5-2)7-6-8-16(10-12(14)17)9-11(3)13(18)19/h11H,4-10H2,1-3H3,(H2,14,17)(H,18,19)
InChIKeyYEACJODMBCCTON-UHFFFAOYSA-N
XLogP0.23
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-amino-2-oxoethyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82326833
3-[3-(diethylamino)propyl-(2-methylpropyl)amino]-2-methylpropanoic acid
CID 82329011
2-[3-(diethylamino)propyl-ethylamino]acetamide
CID 102996272
3-[3-(diethylamino)propyl-prop-2-enylamino]-2-methylpropanoic acid
CID 82328033
3-[(2-amino-2-oxoethyl)-(3-morpholin-4-ylpropyl)amino]-2-methylpropanoic acid
CID 82326803
3-[carboxymethyl(pentyl)amino]-2-methylpropanoic acid
CID 82328302
3-[ethyl(propyl)amino]-2-methylpropanoic acid
CID 43538770
3-[butanoyl-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid
CID 82323456
3-[2-carboxyethyl-[2-(diethylamino)ethyl]amino]-2-methylpropanoic acid
CID 82329266
3-[ethyl(4-methoxybutyl)amino]-2-methylpropanoic acid
CID 104648447
2-amino-3-[3-(diethylamino)propyl-ethylamino]propanoic acid
CID 102994758
3-[heptyl(hexyl)amino]-2-methylpropanoic acid
CID 82328811

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-oxoethyl)-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-amino-2-oxoethyl)-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid (CID 82326827) is 3-[(2-amino-2-oxoethyl)-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-amino-2-oxoethyl)-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-amino-2-oxoethyl)-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid is CCN(CC)CCCN(CC(N)=O)CC(C)C(=O)O.
What is the InChIKey of 3-[(2-amino-2-oxoethyl)-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid?
The InChIKey is YEACJODMBCCTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-4-15(5-2)7-6-8-16(10-12(14)17)9-11(3)13(18)19/h11H,4-10H2,1-3H3,(H2,14,17)(H,18,19).
What are the key properties of 3-[(2-amino-2-oxoethyl)-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid?
3-[(2-amino-2-oxoethyl)-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid has a molecular weight of 273.38 g/mol, XLogP of 0.23, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-oxoethyl)-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 82326827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).