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

C11H20N2O3 — CID 61267138

IUPAC2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCC(C1CC1)N(C)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7(8-5-6-8)13(4)10(16)12-11(2,3)9(14)15/h7-8H,5-6H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyIERIJBNTEXHFHA-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.29
Rot. Bonds4

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

2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 61267138) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID61267138
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCC(C1CC1)N(C)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7(8-5-6-8)13(4)10(16)12-11(2,3)9(14)15/h7-8H,5-6H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyIERIJBNTEXHFHA-UHFFFAOYSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 61203080
(2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 61202510
2-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid
CID 112662982
2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 55001073
1-(1-cyclopropylethyl)-1-methyl-3-propylurea
CID 115577776
(Z)-4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55167930
(2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61202887
1-[[1-cyclopropylethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61201945
1-(1-cyclopropylethyl)-1-methylurea
CID 43420591
(2S)-4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838520
1-[(1S)-1-cyclopropylethyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 52505296
2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 61406052

Frequently Asked Questions

What is the IUPAC name of 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid (CID 61267138) is 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid is CC(C1CC1)N(C)C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is IERIJBNTEXHFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(8-5-6-8)13(4)10(16)12-11(2,3)9(14)15/h7-8H,5-6H2,1-4H3,(H,12,16)(H,14,15).
What are the key properties of 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid?
2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 61267138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).