(2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid

C10H20N2O4 — CID 65048182

IUPAC(2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
SMILESCOCC(NC(=O)N[C@@H](C)C(=O)O)C(C)C
InChIInChI=1S/C10H20N2O4/c1-6(2)8(5-16-4)12-10(15)11-7(3)9(13)14/h6-8H,5H2,1-4H3,(H,13,14)(H2,11,12,15)/t7-,8?/m0/s1
InChIKeyLSDMAWMKJMFXDE-JAMMHHFISA-N
MW232.28 g/mol
LogP0.43
Rot. Bonds6

About (2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid

(2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid (PubChem CID 65048182) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
PubChem CID65048182
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
SMILESCOCC(NC(=O)N[C@@H](C)C(=O)O)C(C)C
InChIInChI=1S/C10H20N2O4/c1-6(2)8(5-16-4)12-10(15)11-7(3)9(13)14/h6-8H,5H2,1-4H3,(H,13,14)(H2,11,12,15)/t7-,8?/m0/s1
InChIKeyLSDMAWMKJMFXDE-JAMMHHFISA-N
XLogP0.43
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
CID 65048667
(2R)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 79010313
(2R)-4-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid
CID 107828128
2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 61470917
(2R)-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid
CID 78979081
2-methoxy-3-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
CID 106110258
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide
CID 167034901
N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053654
3-methoxy-2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 81085452
4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4-oxobut-2-enoic acid
CID 77055930
4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4-oxobutanoic acid
CID 65048259

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid?
The IUPAC name of (2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid (CID 65048182) is (2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid?
The canonical SMILES for (2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid is COCC(NC(=O)N[C@@H](C)C(=O)O)C(C)C.
What is the InChIKey of (2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid?
The InChIKey is LSDMAWMKJMFXDE-JAMMHHFISA-N. The full InChI is InChI=1S/C10H20N2O4/c1-6(2)8(5-16-4)12-10(15)11-7(3)9(13)14/h6-8H,5H2,1-4H3,(H,13,14)(H2,11,12,15)/t7-,8?/m0/s1.
What are the key properties of (2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid?
(2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 65048182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).