2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-methylamino]propanoic acid

C13H24N2O4 — CID 62637212

IUPAC2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-methylamino]propanoic acid
SMILESCOCCN(C(=O)N(C)C(C)C(=O)O)C(C)C1CC1
InChIInChI=1S/C13H24N2O4/c1-9(11-5-6-11)15(7-8-19-4)13(18)14(3)10(2)12(16)17/h9-11H,5-8H2,1-4H3,(H,16,17)
InChIKeyDUZQYBFGILCFCH-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.26
Rot. Bonds7

About 2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-methylamino]propanoic acid

2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-methylamino]propanoic acid (PubChem CID 62637212) has the molecular formula C13H24N2O4 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-methylamino]propanoic acid
PubChem CID62637212
Molecular FormulaC13H24N2O4
Molecular Weight272.35 g/mol
Exact Mass272.17
IUPAC Name2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-methylamino]propanoic acid
SMILESCOCCN(C(=O)N(C)C(C)C(=O)O)C(C)C1CC1
InChIInChI=1S/C13H24N2O4/c1-9(11-5-6-11)15(7-8-19-4)13(18)14(3)10(2)12(16)17/h9-11H,5-8H2,1-4H3,(H,16,17)
InChIKeyDUZQYBFGILCFCH-UHFFFAOYSA-N
XLogP1.26
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-oxopentanoic acid
CID 54875337
2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065274
2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)propanamide
CID 60948418
5-[1-cyclopropylethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933896
N-(1-cyclopropylethyl)-2-hydroxy-N-(2-methoxyethyl)-2-methylpropanamide
CID 103429770
cis-(1S,2R)-2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114091974
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzamide
CID 60794981
3-cyclobutyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea
CID 115642256
3-tert-butyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea
CID 113256723
3-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784695
(2S)-2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]amino]hexanoic acid
CID 107145828
N-(1-cyclopropylethyl)-2-(ethylamino)-N-(2-methoxyethyl)-2-methylpropanamide
CID 62834379

Frequently Asked Questions

What is the IUPAC name of 2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-methylamino]propanoic acid (CID 62637212) is 2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-methylamino]propanoic acid is COCCN(C(=O)N(C)C(C)C(=O)O)C(C)C1CC1.
What is the InChIKey of 2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-methylamino]propanoic acid?
The InChIKey is DUZQYBFGILCFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(11-5-6-11)15(7-8-19-4)13(18)14(3)10(2)12(16)17/h9-11H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-methylamino]propanoic acid?
2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-methylamino]propanoic acid has a molecular weight of 272.35 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-methylamino]propanoic acid is sourced from PubChem (CID 62637212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).