2-[bis(2-methoxyethyl)carbamoyl-methylamino]-2-methylpropanoic acid

C12H24N2O5 — CID 62820777

IUPAC2-[bis(2-methoxyethyl)carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCOCCN(CCOC)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H24N2O5/c1-12(2,10(15)16)13(3)11(17)14(6-8-18-4)7-9-19-5/h6-9H2,1-5H3,(H,15,16)
InChIKeyFRXQDCAWSKECFE-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.50
Rot. Bonds8

About 2-[bis(2-methoxyethyl)carbamoyl-methylamino]-2-methylpropanoic acid

2-[bis(2-methoxyethyl)carbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 62820777) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)carbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)carbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID62820777
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name2-[bis(2-methoxyethyl)carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCOCCN(CCOC)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H24N2O5/c1-12(2,10(15)16)13(3)11(17)14(6-8-18-4)7-9-19-5/h6-9H2,1-5H3,(H,15,16)
InChIKeyFRXQDCAWSKECFE-UHFFFAOYSA-N
XLogP0.50
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62820097
2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 62821665
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
2-[[ethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 62820937
2-[4-methoxybutan-2-ylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 64603274
2-[2-methoxyethyl(pentan-3-yl)amino]-2-methylpropanoic acid
CID 114996787
2-[(2-amino-5-methoxypentanoyl)-methylamino]-2-methylpropanoic acid
CID 81088551
1-ethyl-1-(2-methoxyethyl)-3,3-dimethylurea
CID 115590966
2-[bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263711
2-[bis(2-methoxyethyl)amino]-2-ethylbutanoic acid
CID 114989592
2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]-2-methylpropanoic acid
CID 62822215
acetic acid;2-methoxy-N,N-dimethylethanamine
CID 173078438

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[bis(2-methoxyethyl)carbamoyl-methylamino]-2-methylpropanoic acid (CID 62820777) is 2-[bis(2-methoxyethyl)carbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[bis(2-methoxyethyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[bis(2-methoxyethyl)carbamoyl-methylamino]-2-methylpropanoic acid is COCCN(CCOC)C(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[bis(2-methoxyethyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is FRXQDCAWSKECFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5/c1-12(2,10(15)16)13(3)11(17)14(6-8-18-4)7-9-19-5/h6-9H2,1-5H3,(H,15,16).
What are the key properties of 2-[bis(2-methoxyethyl)carbamoyl-methylamino]-2-methylpropanoic acid?
2-[bis(2-methoxyethyl)carbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 276.33 g/mol, XLogP of 0.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)carbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62820777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).