2-hydroxy-2-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid

C8H15N3O5 — CID 66176562

IUPAC2-hydroxy-2-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid
SMILESCNC(=O)CNC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C8H15N3O5/c1-8(16,6(13)14)4-11-7(15)10-3-5(12)9-2/h16H,3-4H2,1-2H3,(H,9,12)(H,13,14)(H2,10,11,15)
InChIKeyJDEGVAZQZSBVSP-UHFFFAOYSA-N
MW233.22 g/mol
LogP-2.13
Rot. Bonds5

About 2-hydroxy-2-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid

2-hydroxy-2-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid (PubChem CID 66176562) has the molecular formula C8H15N3O5 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid
PubChem CID66176562
Molecular FormulaC8H15N3O5
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC Name2-hydroxy-2-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid
SMILESCNC(=O)CNC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C8H15N3O5/c1-8(16,6(13)14)4-11-7(15)10-3-5(12)9-2/h16H,3-4H2,1-2H3,(H,9,12)(H,13,14)(H2,10,11,15)
InChIKeyJDEGVAZQZSBVSP-UHFFFAOYSA-N
XLogP-2.13
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-2.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid
CID 66173456
2-hydroxy-2-methyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 114618091
N-methyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetamide
CID 144980882
3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66176563
2-hydroxy-2-methyl-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
CID 66177198
(2S)-3,3-dimethyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]butanoic acid
CID 61197432
2-hydroxy-3-[2-(2-methoxyethoxy)ethylcarbamoylamino]-2-methylpropanoic acid
CID 66175532
2-(ethylcarbamoylamino)-N-methylacetamide
CID 115575880
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
3-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]butanoic acid
CID 64702407

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid (CID 66176562) is 2-hydroxy-2-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid is CNC(=O)CNC(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid?
The InChIKey is JDEGVAZQZSBVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O5/c1-8(16,6(13)14)4-11-7(15)10-3-5(12)9-2/h16H,3-4H2,1-2H3,(H,9,12)(H,13,14)(H2,10,11,15).
What are the key properties of 2-hydroxy-2-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid?
2-hydroxy-2-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid has a molecular weight of 233.22 g/mol, XLogP of -2.13, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 66176562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).