4-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid

C8H15N3O5 — CID 66003778

IUPAC4-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNC(=O)NCC(N)=O)CC(=O)O
InChIInChI=1S/C8H15N3O5/c1-8(16,2-6(13)14)4-11-7(15)10-3-5(9)12/h16H,2-4H2,1H3,(H2,9,12)(H,13,14)(H2,10,11,15)
InChIKeyIPLWHKWHBXOQSU-UHFFFAOYSA-N
MW233.22 g/mol
LogP-2.00
Rot. Bonds6

About 4-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid

4-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid (PubChem CID 66003778) has the molecular formula C8H15N3O5 and a molecular weight of 233.22 g/mol. Its IUPAC name is 4-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
PubChem CID66003778
Molecular FormulaC8H15N3O5
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC Name4-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNC(=O)NCC(N)=O)CC(=O)O
InChIInChI=1S/C8H15N3O5/c1-8(16,2-6(13)14)4-11-7(15)10-3-5(9)12/h16H,2-4H2,1H3,(H2,9,12)(H,13,14)(H2,10,11,15)
InChIKeyIPLWHKWHBXOQSU-UHFFFAOYSA-N
XLogP-2.00
TPSA141.75 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-2.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze 4-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid with MolForge

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Related Compounds

3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoic acid
CID 66001000
3-hydroxy-3-methyl-4-(methylcarbamoylamino)butanoic acid
CID 66003379
4-(3-ethylpentan-3-ylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66003041
3-hydroxy-3-methyl-4-(2-methylsulfonylethylcarbamoylamino)butanoic acid
CID 66001615
3-hydroxy-3-methyl-4-(2-methylbutylcarbamoylamino)butanoic acid
CID 66003618
4-[(4-carbamoylphenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66003381
4-(dimethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66002994
3-hydroxy-3-methyl-4-(2-phenylethylcarbamoylamino)butanoic acid
CID 66002791
3-hydroxy-4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 66002819
4-[(2-amino-2-methylbutanoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 79811934
3-hydroxy-3-methyl-4-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]butanoic acid
CID 106038878
4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 105419531

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid (CID 66003778) is 4-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid is CC(O)(CNC(=O)NCC(N)=O)CC(=O)O.
What is the InChIKey of 4-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid?
The InChIKey is IPLWHKWHBXOQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O5/c1-8(16,2-6(13)14)4-11-7(15)10-3-5(9)12/h16H,2-4H2,1H3,(H2,9,12)(H,13,14)(H2,10,11,15).
What are the key properties of 4-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid?
4-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid has a molecular weight of 233.22 g/mol, XLogP of -2.00, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 66003778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).