2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid

C11H21N3O5 — CID 79463056

IUPAC2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid
SMILESCCCCN(CC(N)=O)C(=O)NCCOCC(=O)O
InChIInChI=1S/C11H21N3O5/c1-2-3-5-14(7-9(12)15)11(18)13-4-6-19-8-10(16)17/h2-8H2,1H3,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyDMTFLFPYRYSBEC-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.62
Rot. Bonds10

About 2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid

2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid (PubChem CID 79463056) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid
PubChem CID79463056
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid
SMILESCCCCN(CC(N)=O)C(=O)NCCOCC(=O)O
InChIInChI=1S/C11H21N3O5/c1-2-3-5-14(7-9(12)15)11(18)13-4-6-19-8-10(16)17/h2-8H2,1H3,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyDMTFLFPYRYSBEC-UHFFFAOYSA-N
XLogP-0.62
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[butyl(butylcarbamoyl)amino]acetamide
CID 115585915
2-[2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463155
2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid
CID 107437318
2-[2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]ethoxy]acetic acid
CID 79463634
3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid
CID 55105126
3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66167624
2-[2-(pentylcarbamoylamino)ethoxy]acetic acid
CID 79463025
2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464032
2-[2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79463361
2-[2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethoxy]acetic acid
CID 107481876
2-[2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464132
2-[butylcarbamoyl(propyl)amino]acetic acid
CID 61008492

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid (CID 79463056) is 2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid is CCCCN(CC(N)=O)C(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid?
The InChIKey is DMTFLFPYRYSBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-2-3-5-14(7-9(12)15)11(18)13-4-6-19-8-10(16)17/h2-8H2,1H3,(H2,12,15)(H,13,18)(H,16,17).
What are the key properties of 2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid?
2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid has a molecular weight of 275.31 g/mol, XLogP of -0.62, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79463056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).