(2R)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid

C10H20N2O4 — CID 79010163

IUPAC(2R)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
SMILESCOCCN(C)C(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C10H20N2O4/c1-7(2)8(9(13)14)11-10(15)12(3)5-6-16-4/h7-8H,5-6H2,1-4H3,(H,11,15)(H,13,14)/t8-/m1/s1
InChIKeyQZTKTXLALSMSLN-MRVPVSSYSA-N
MW232.28 g/mol
LogP0.38
Rot. Bonds6

About (2R)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid

(2R)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid (PubChem CID 79010163) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2R)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
PubChem CID79010163
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(2R)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
SMILESCOCCN(C)C(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C10H20N2O4/c1-7(2)8(9(13)14)11-10(15)12(3)5-6-16-4/h7-8H,5-6H2,1-4H3,(H,11,15)(H,13,14)/t8-/m1/s1
InChIKeyQZTKTXLALSMSLN-MRVPVSSYSA-N
XLogP0.38
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 81061955
(2S)-2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 63701166
3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
CID 81086301
(2R)-3-methyl-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid
CID 79010195
6-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylheptanoic acid
CID 65289568
(2S)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 63286518
2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61418747
(2S)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 61198805
2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-methylbutanoic acid
CID 103249699
(2S)-5-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 114005480
(2S,3S)-2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-3-methylpentanoic acid
CID 55001754
2-[[3-methoxypropyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 62996165

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid (CID 79010163) is (2R)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid is COCCN(C)C(=O)N[C@@H](C(=O)O)C(C)C.
What is the InChIKey of (2R)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid?
The InChIKey is QZTKTXLALSMSLN-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-7(2)8(9(13)14)11-10(15)12(3)5-6-16-4/h7-8H,5-6H2,1-4H3,(H,11,15)(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid?
(2R)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 79010163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).