2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid

C11H20N2O4 — CID 81086122

IUPAC2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)N(C)C(C)C1CC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(8-4-5-8)13(2)11(16)12-9(6-17-3)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyIIRQJANKYAEBPJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.53
Rot. Bonds6

About 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid

2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid (PubChem CID 81086122) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
PubChem CID81086122
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)N(C)C(C)C1CC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(8-4-5-8)13(2)11(16)12-9(6-17-3)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyIIRQJANKYAEBPJ-UHFFFAOYSA-N
XLogP0.53
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61202887
3-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]propanoic acid
CID 81083904
3-methoxy-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid
CID 112662945
(2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 61202510
2-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81081870
(2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 61203080
2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81084471
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxypropanoic acid
CID 81086151
3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
CID 81086301
3-methoxy-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid
CID 82742368
2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81085766
(2S)-2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]amino]hexanoic acid
CID 107145828

Frequently Asked Questions

What is the IUPAC name of 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid (CID 81086122) is 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid is COCC(NC(=O)N(C)C(C)C1CC1)C(=O)O.
What is the InChIKey of 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid?
The InChIKey is IIRQJANKYAEBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(8-4-5-8)13(2)11(16)12-9(6-17-3)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid?
2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid is sourced from PubChem (CID 81086122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).