3-[2-acetamidoethyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid

C10H19N3O4 — CID 82330021

IUPAC3-[2-acetamidoethyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
SMILESCNC(=O)CN(CCNC(C)=O)CCC(=O)O
InChIInChI=1S/C10H19N3O4/c1-8(14)12-4-6-13(5-3-10(16)17)7-9(15)11-2/h3-7H2,1-2H3,(H,11,15)(H,12,14)(H,16,17)
InChIKeyFHSKAYGKZRDGOS-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.35
Rot. Bonds8

About 3-[2-acetamidoethyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid

3-[2-acetamidoethyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid (PubChem CID 82330021) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[2-acetamidoethyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[2-acetamidoethyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
PubChem CID82330021
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name3-[2-acetamidoethyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
SMILESCNC(=O)CN(CCNC(C)=O)CCC(=O)O
InChIInChI=1S/C10H19N3O4/c1-8(14)12-4-6-13(5-3-10(16)17)7-9(15)11-2/h3-7H2,1-2H3,(H,11,15)(H,12,14)(H,16,17)
InChIKeyFHSKAYGKZRDGOS-UHFFFAOYSA-N
XLogP-1.35
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-acetamidoethyl(2-methylpropyl)amino]propanoic acid
CID 82328942
N-[2-[bis(2-acetamidoethyl)amino]ethyl]acetamide
CID 14382083
N-methyl-2-[3-oxobutyl(propyl)amino]acetamide
CID 62036736
2-[2-acetamidoethyl(carboxymethyl)amino]acetic acid;formic acid
CID 91527468
6-[[2-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl-[2-[[2-(methylamino)-2-oxoethyl]-[2-[[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]hexanoic acid
CID 147724727
3-[3-acetamidopropyl(propyl)amino]propanoic acid
CID 82328102
3-[benzyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
CID 82330019
3-[2-carboxyethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid
CID 82327299
2-[bis(2-acetamidoethyl)amino]-N-(2-propoxyethyl)acetamide
CID 59098642
N-[2-(dimethylamino)ethyl]acetamide;ethane;molecular hydrogen
CID 156646595
2-[bis[2-[[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid
CID 22943944
N-(2-acetamidoethyl)-3-[[3-(2-acetamidoethylamino)-3-oxopropyl]-[2-[3-[[3-[2-[bis[3-(2-acetamidoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[2-[2-[bis[3-[2-[bis[3-(2-acetamidoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethyldisulfanyl]ethyl]amino]propanoylamino]ethyl]amino]propanamide
CID 101243788

Frequently Asked Questions

What is the IUPAC name of 3-[2-acetamidoethyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[2-acetamidoethyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid (CID 82330021) is 3-[2-acetamidoethyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[2-acetamidoethyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[2-acetamidoethyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid is CNC(=O)CN(CCNC(C)=O)CCC(=O)O.
What is the InChIKey of 3-[2-acetamidoethyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is FHSKAYGKZRDGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-8(14)12-4-6-13(5-3-10(16)17)7-9(15)11-2/h3-7H2,1-2H3,(H,11,15)(H,12,14)(H,16,17).
What are the key properties of 3-[2-acetamidoethyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid?
3-[2-acetamidoethyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 245.28 g/mol, XLogP of -1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-acetamidoethyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 82330021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).