2-[2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]ethoxy]acetic acid

C10H19N3O5 — CID 79463634

IUPAC2-[2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]ethoxy]acetic acid
SMILESCCN(CC(=O)NC)C(=O)NCCOCC(=O)O
InChIInChI=1S/C10H19N3O5/c1-3-13(6-8(14)11-2)10(17)12-4-5-18-7-9(15)16/h3-7H2,1-2H3,(H,11,14)(H,12,17)(H,15,16)
InChIKeyZIIGLVNTDCSTRF-UHFFFAOYSA-N
MW261.28 g/mol
LogP-1.13
Rot. Bonds8

About 2-[2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]ethoxy]acetic acid

2-[2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]ethoxy]acetic acid (PubChem CID 79463634) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]ethoxy]acetic acid
PubChem CID79463634
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name2-[2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]ethoxy]acetic acid
SMILESCCN(CC(=O)NC)C(=O)NCCOCC(=O)O
InChIInChI=1S/C10H19N3O5/c1-3-13(6-8(14)11-2)10(17)12-4-5-18-7-9(15)16/h3-7H2,1-2H3,(H,11,14)(H,12,17)(H,15,16)
InChIKeyZIIGLVNTDCSTRF-UHFFFAOYSA-N
XLogP-1.13
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-1.13
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-[2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464032
3-[2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]ethoxy]propanoic acid
CID 112739272
3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 114144627
2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid
CID 79463056
2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463035
2-[2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79463361
2-[2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463155
N-[2-(diethylcarbamoylamino)ethyl]-2-(2-methoxyethoxy)acetamide
CID 108574836
2-[2-[[2-[acetyl(methyl)amino]acetyl]amino]ethoxy]acetic acid
CID 79457414
2-[[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65223396
2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463536
2-[2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463562

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]ethoxy]acetic acid (CID 79463634) is 2-[2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]ethoxy]acetic acid is CCN(CC(=O)NC)C(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]ethoxy]acetic acid?
The InChIKey is ZIIGLVNTDCSTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-3-13(6-8(14)11-2)10(17)12-4-5-18-7-9(15)16/h3-7H2,1-2H3,(H,11,14)(H,12,17)(H,15,16).
What are the key properties of 2-[2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]ethoxy]acetic acid?
2-[2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]ethoxy]acetic acid has a molecular weight of 261.28 g/mol, XLogP of -1.13, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79463634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).