2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid

C10H19N3O4 — CID 61008829

IUPAC2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)CC(=O)NC(=O)NCC
InChIInChI=1S/C10H19N3O4/c1-3-5-13(7-9(15)16)6-8(14)12-10(17)11-4-2/h3-7H2,1-2H3,(H,15,16)(H2,11,12,14,17)
InChIKeyFVXVRJJVYLDPRH-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.37
Rot. Bonds7

About 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid

2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid (PubChem CID 61008829) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid
PubChem CID61008829
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)CC(=O)NC(=O)NCC
InChIInChI=1S/C10H19N3O4/c1-3-5-13(7-9(15)16)6-8(14)12-10(17)11-4-2/h3-7H2,1-2H3,(H,15,16)(H2,11,12,14,17)
InChIKeyFVXVRJJVYLDPRH-UHFFFAOYSA-N
XLogP-0.37
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid
CID 61007591
2-[(2-amino-2-oxoethyl)-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 107440755
2-[carboxymethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 63646632
N-(ethylcarbamoyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide
CID 106636038
2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 63645647
2-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-propylamino]acetic acid
CID 54899159
2-[2-(dipropylamino)ethyl-propylamino]acetic acid
CID 155392910
ethane;2-[ethyl(propyl)amino]acetic acid
CID 143677754
2-[2-(dimethylamino)ethyl-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 107425846
2-[2-[carboxymethyl-[2-oxo-2-(2-sulfoethylamino)ethyl]amino]ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetic acid
CID 170689425
2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide
CID 60686309
2-[piperidin-2-ylmethyl(propyl)amino]-N-(propylcarbamoyl)acetamide
CID 106635938

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid (CID 61008829) is 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid is CCCN(CC(=O)O)CC(=O)NC(=O)NCC.
What is the InChIKey of 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid?
The InChIKey is FVXVRJJVYLDPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-3-5-13(7-9(15)16)6-8(14)12-10(17)11-4-2/h3-7H2,1-2H3,(H,15,16)(H2,11,12,14,17).
What are the key properties of 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid?
2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid has a molecular weight of 245.28 g/mol, XLogP of -0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid is sourced from PubChem (CID 61008829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).