3-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-methylpropanoic acid

C11H22N2O3 — CID 62852615

IUPAC3-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-methylpropanoic acid
SMILESCCCNC(=O)CN(CC)CC(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-6-12-10(14)8-13(5-2)7-9(3)11(15)16/h9H,4-8H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyIEWZJDJXDFFJHQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.56
Rot. Bonds8

About 3-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-methylpropanoic acid

3-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-methylpropanoic acid (PubChem CID 62852615) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-methylpropanoic acid
PubChem CID62852615
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-methylpropanoic acid
SMILESCCCNC(=O)CN(CC)CC(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-6-12-10(14)8-13(5-2)7-9(3)11(15)16/h9H,4-8H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyIEWZJDJXDFFJHQ-UHFFFAOYSA-N
XLogP0.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62853139
3-[[2-(butylamino)-2-oxoethyl]-(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82327238
3-[[2-(butylamino)-2-oxoethyl]-prop-2-enylamino]-2-methylpropanoic acid
CID 82327249
3-[ethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 55122915
2-[ethyl(propyl)amino]-N-propylacetamide
CID 135183244
3-[ethyl-[[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid
CID 55123161
3-[ethyl-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62852413
3-[ethyl(propyl)amino]-2-methylpropanoic acid
CID 43538770
2-methyl-3-[3-methylbutyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid
CID 82327324
N-butyl-2-(diethylamino)acetamide
CID 54813643
ethyl 2-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]acetate
CID 55207794
2-[bis(2-hydroxyethyl)amino]-N-propylacetamide
CID 60686308

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-methylpropanoic acid (CID 62852615) is 3-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-methylpropanoic acid is CCCNC(=O)CN(CC)CC(C)C(=O)O.
What is the InChIKey of 3-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-methylpropanoic acid?
The InChIKey is IEWZJDJXDFFJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-6-12-10(14)8-13(5-2)7-9(3)11(15)16/h9H,4-8H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 3-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-methylpropanoic acid?
3-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-methylpropanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62852615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).