2-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-propylamino]acetic acid

C11H21N3O4 — CID 54899159

IUPAC2-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(C)C(=O)NC(=O)NCC
InChIInChI=1S/C11H21N3O4/c1-4-6-14(7-9(15)16)8(3)10(17)13-11(18)12-5-2/h8H,4-7H2,1-3H3,(H,15,16)(H2,12,13,17,18)
InChIKeyCJKKDDVKSQHQGX-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.02
Rot. Bonds7

About 2-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-propylamino]acetic acid

2-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-propylamino]acetic acid (PubChem CID 54899159) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-propylamino]acetic acid
PubChem CID54899159
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(C)C(=O)NC(=O)NCC
InChIInChI=1S/C11H21N3O4/c1-4-6-14(7-9(15)16)8(3)10(17)13-11(18)12-5-2/h8H,4-7H2,1-3H3,(H,15,16)(H2,12,13,17,18)
InChIKeyCJKKDDVKSQHQGX-UHFFFAOYSA-N
XLogP0.02
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-amino-1-oxopropan-2-yl)-propylamino]acetic acid
CID 61008085
2-[3-aminopropyl(ethyl)amino]-N-(ethylcarbamoyl)propanamide
CID 43137250
2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid
CID 61008829
2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-prop-2-ynylamino]acetic acid
CID 79282980
2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107440766
N-(ethylcarbamoyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 78825733
2-[2-aminoethyl(2-phenylethyl)amino]-N-(ethylcarbamoyl)propanamide
CID 120872420
2-[[1-(carbamoylamino)-1-oxopropan-2-yl]-(2-methoxyethyl)amino]acetic acid
CID 54968906
2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 63646159
2-[2-(dimethylamino)ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107425496
2-[2-(dimethylamino)ethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid
CID 107426058
methyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62010774

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-propylamino]acetic acid?
The IUPAC name of 2-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-propylamino]acetic acid (CID 54899159) is 2-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-propylamino]acetic acid?
The canonical SMILES for 2-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-propylamino]acetic acid is CCCN(CC(=O)O)C(C)C(=O)NC(=O)NCC.
What is the InChIKey of 2-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-propylamino]acetic acid?
The InChIKey is CJKKDDVKSQHQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-4-6-14(7-9(15)16)8(3)10(17)13-11(18)12-5-2/h8H,4-7H2,1-3H3,(H,15,16)(H2,12,13,17,18).
What are the key properties of 2-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-propylamino]acetic acid?
2-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-propylamino]acetic acid has a molecular weight of 259.31 g/mol, XLogP of 0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-propylamino]acetic acid is sourced from PubChem (CID 54899159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).