2-[2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]ethoxy]acetic acid

C12H24N2O6 — CID 79463155

IUPAC2-[2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]ethoxy]acetic acid
SMILESCOCCCN(CCOC)C(=O)NCCOCC(=O)O
InChIInChI=1S/C12H24N2O6/c1-18-7-3-5-14(6-9-19-2)12(17)13-4-8-20-10-11(15)16/h3-10H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyNPANXWQSYPHOLY-UHFFFAOYSA-N
MW292.33 g/mol
LogP-0.22
Rot. Bonds12

About 2-[2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]ethoxy]acetic acid

2-[2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]ethoxy]acetic acid (PubChem CID 79463155) has the molecular formula C12H24N2O6 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]ethoxy]acetic acid
PubChem CID79463155
Molecular FormulaC12H24N2O6
Molecular Weight292.33 g/mol
Exact Mass292.16
IUPAC Name2-[2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]ethoxy]acetic acid
SMILESCOCCCN(CCOC)C(=O)NCCOCC(=O)O
InChIInChI=1S/C12H24N2O6/c1-18-7-3-5-14(6-9-19-2)12(17)13-4-8-20-10-11(15)16/h3-10H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyNPANXWQSYPHOLY-UHFFFAOYSA-N
XLogP-0.22
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid
CID 79463056
3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62668666
2-[2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464132
2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 83113976
3-ethyl-1,1-bis(2-methoxyethyl)urea
CID 108890462
2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269666
2-[2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]ethoxy]acetic acid
CID 79463634
2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463035
4-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-4-oxobut-2-enoic acid
CID 76910282
2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
CID 63678594
2-[2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethoxy]acetic acid
CID 107481876
2-[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464216

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]ethoxy]acetic acid (CID 79463155) is 2-[2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]ethoxy]acetic acid is COCCCN(CCOC)C(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]ethoxy]acetic acid?
The InChIKey is NPANXWQSYPHOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O6/c1-18-7-3-5-14(6-9-19-2)12(17)13-4-8-20-10-11(15)16/h3-10H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]ethoxy]acetic acid?
2-[2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]ethoxy]acetic acid has a molecular weight of 292.33 g/mol, XLogP of -0.22, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79463155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).