2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-methylpropanoic acid

C11H20N2O6 — CID 66175740

IUPAC2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCOC(=O)CN(C(=O)NCC(C)(O)C(=O)O)C(C)C
InChIInChI=1S/C11H20N2O6/c1-7(2)13(5-8(14)19-4)10(17)12-6-11(3,18)9(15)16/h7,18H,5-6H2,1-4H3,(H,12,17)(H,15,16)
InChIKeyGOVTVWLPUJOQIT-UHFFFAOYSA-N
MW276.29 g/mol
LogP-0.58
Rot. Bonds6

About 2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-methylpropanoic acid

2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-methylpropanoic acid (PubChem CID 66175740) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-methylpropanoic acid
PubChem CID66175740
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Name2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCOC(=O)CN(C(=O)NCC(C)(O)C(=O)O)C(C)C
InChIInChI=1S/C11H20N2O6/c1-7(2)13(5-8(14)19-4)10(17)12-6-11(3,18)9(15)16/h7,18H,5-6H2,1-4H3,(H,12,17)(H,15,16)
InChIKeyGOVTVWLPUJOQIT-UHFFFAOYSA-N
XLogP-0.58
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 66173046
methyl 2-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
CID 113226999
(2S)-2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid
CID 107839292
2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid
CID 66168049
2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid
CID 66173456
3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176137
3-[[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]methyl]pentanoic acid
CID 81069874
methyl 2-[3,3-dimethylbutanoyl(propan-2-yl)amino]acetate
CID 60766662
(2R)-3-hydroxy-2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid
CID 80757791
methyl 2-[[2-methyl-2-(methylamino)propanoyl]-propan-2-ylamino]acetate
CID 62847263
4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-oxobutanoic acid
CID 55006758
2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 66177000

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-methylpropanoic acid (CID 66175740) is 2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-methylpropanoic acid is COC(=O)CN(C(=O)NCC(C)(O)C(=O)O)C(C)C.
What is the InChIKey of 2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is GOVTVWLPUJOQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6/c1-7(2)13(5-8(14)19-4)10(17)12-6-11(3,18)9(15)16/h7,18H,5-6H2,1-4H3,(H,12,17)(H,15,16).
What are the key properties of 2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-methylpropanoic acid?
2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 276.29 g/mol, XLogP of -0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 66175740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).