2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid

C8H14N2O6 — CID 66173456

IUPAC2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid
SMILESCOC(=O)CNC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C8H14N2O6/c1-8(15,6(12)13)4-10-7(14)9-3-5(11)16-2/h15H,3-4H2,1-2H3,(H,12,13)(H2,9,10,14)
InChIKeyIPXGDMQKGNQKGQ-UHFFFAOYSA-N
MW234.21 g/mol
LogP-1.71
Rot. Bonds5

About 2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid

2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid (PubChem CID 66173456) has the molecular formula C8H14N2O6 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid
PubChem CID66173456
Molecular FormulaC8H14N2O6
Molecular Weight234.21 g/mol
Exact Mass234.09
IUPAC Name2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid
SMILESCOC(=O)CNC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C8H14N2O6/c1-8(15,6(12)13)4-10-7(14)9-3-5(11)16-2/h15H,3-4H2,1-2H3,(H,12,13)(H2,9,10,14)
InChIKeyIPXGDMQKGNQKGQ-UHFFFAOYSA-N
XLogP-1.71
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-2-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 66176562
2-hydroxy-2-methyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 114618091
3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoic acid
CID 66001000
3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66176563
2-hydroxy-3-[2-(2-methoxyethoxy)ethylcarbamoylamino]-2-methylpropanoic acid
CID 66175532
2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 66173046
2-hydroxy-3-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 103018889
3-(3-butoxypropylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 113481168
3-(but-3-ynylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66175324
3-[3-(ethylamino)propylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66177839
methyl 2-(methoxymethylcarbamoylamino)acetate
CID 108893664
2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-methylpropanoic acid
CID 66175740

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid (CID 66173456) is 2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid is COC(=O)CNC(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid?
The InChIKey is IPXGDMQKGNQKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O6/c1-8(15,6(12)13)4-10-7(14)9-3-5(11)16-2/h15H,3-4H2,1-2H3,(H,12,13)(H2,9,10,14).
What are the key properties of 2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid?
2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid has a molecular weight of 234.21 g/mol, XLogP of -1.71, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid is sourced from PubChem (CID 66173456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).