2-[bis(2-methoxyethyl)carbamoylamino]-2-cyclopropylpropanoic acid

C13H24N2O5 — CID 61418982

IUPAC2-[bis(2-methoxyethyl)carbamoylamino]-2-cyclopropylpropanoic acid
SMILESCOCCN(CCOC)C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C13H24N2O5/c1-13(11(16)17,10-4-5-10)14-12(18)15(6-8-19-2)7-9-20-3/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyOAYQNFCOUQLOCC-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.54
Rot. Bonds9

About 2-[bis(2-methoxyethyl)carbamoylamino]-2-cyclopropylpropanoic acid

2-[bis(2-methoxyethyl)carbamoylamino]-2-cyclopropylpropanoic acid (PubChem CID 61418982) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)carbamoylamino]-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)carbamoylamino]-2-cyclopropylpropanoic acid
PubChem CID61418982
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name2-[bis(2-methoxyethyl)carbamoylamino]-2-cyclopropylpropanoic acid
SMILESCOCCN(CCOC)C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C13H24N2O5/c1-13(11(16)17,10-4-5-10)14-12(18)15(6-8-19-2)7-9-20-3/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyOAYQNFCOUQLOCC-UHFFFAOYSA-N
XLogP0.54
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]propanoic acid
CID 54948552
2-cyclopropyl-2-[[ethyl(propyl)carbamoyl]amino]propanoic acid
CID 61195647
2-cyclopropyl-2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 55001121
3-tert-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 55220407
2-cyclopropyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 63706066
2-cyclopropyl-2-[(2-methoxy-2-oxoethyl)amino]propanoic acid
CID 114987732
2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 61402734
2-cyclopropyl-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 62709513
2-[[2-(tert-butylamino)acetyl]amino]-2-cyclopropylpropanoic acid
CID 79256381
3-[(E)-3,3-dimethylbut-1-enyl]-1,1-bis(2-methoxyethyl)urea
CID 108911465
2-[cyclopropyl(2-methoxyethyl)amino]-3-methoxy-2-methylpropanoic acid
CID 115002746
3-[(E)-2-cyclopropylprop-1-enyl]-1,1-bis(2-methoxyethyl)urea
CID 108915513

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)carbamoylamino]-2-cyclopropylpropanoic acid?
The IUPAC name of 2-[bis(2-methoxyethyl)carbamoylamino]-2-cyclopropylpropanoic acid (CID 61418982) is 2-[bis(2-methoxyethyl)carbamoylamino]-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-[bis(2-methoxyethyl)carbamoylamino]-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-[bis(2-methoxyethyl)carbamoylamino]-2-cyclopropylpropanoic acid is COCCN(CCOC)C(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-[bis(2-methoxyethyl)carbamoylamino]-2-cyclopropylpropanoic acid?
The InChIKey is OAYQNFCOUQLOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-13(11(16)17,10-4-5-10)14-12(18)15(6-8-19-2)7-9-20-3/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[bis(2-methoxyethyl)carbamoylamino]-2-cyclopropylpropanoic acid?
2-[bis(2-methoxyethyl)carbamoylamino]-2-cyclopropylpropanoic acid has a molecular weight of 288.34 g/mol, XLogP of 0.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)carbamoylamino]-2-cyclopropylpropanoic acid is sourced from PubChem (CID 61418982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).