2-[(2-amino-2-methylpropanoyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid

C8H16N2O5 — CID 71347971

IUPAC2-[(2-amino-2-methylpropanoyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid
SMILESCC(C)(N)C(=O)NC(CO)(CO)C(=O)O
InChIInChI=1S/C8H16N2O5/c1-7(2,9)5(13)10-8(3-11,4-12)6(14)15/h11-12H,3-4,9H2,1-2H3,(H,10,13)(H,14,15)
InChIKeyPHPYZEXTSQWCEY-UHFFFAOYSA-N
MW220.22 g/mol
LogP-2.35
Rot. Bonds5

About 2-[(2-amino-2-methylpropanoyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid

2-[(2-amino-2-methylpropanoyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid (PubChem CID 71347971) has the molecular formula C8H16N2O5 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-[(2-amino-2-methylpropanoyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid.

Molecular Properties

Compound Name2-[(2-amino-2-methylpropanoyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid
PubChem CID71347971
Molecular FormulaC8H16N2O5
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC Name2-[(2-amino-2-methylpropanoyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid
SMILESCC(C)(N)C(=O)NC(CO)(CO)C(=O)O
InChIInChI=1S/C8H16N2O5/c1-7(2,9)5(13)10-8(3-11,4-12)6(14)15/h11-12H,3-4,9H2,1-2H3,(H,10,13)(H,14,15)
InChIKeyPHPYZEXTSQWCEY-UHFFFAOYSA-N
XLogP-2.35
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-2.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-methylpropan-1-ol;carbonic acid
CID 21330274
2-amino-2-methylpropanehydrazide
CID 63991611
(2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoic acid
CID 54118919
2-amino-2-methyl-N-(3-methylpent-1-yn-3-yl)propanamide
CID 130756424
2-hydrazinyl-3-hydroxy-2-methylpropanoic acid
CID 166471302
tert-butyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate
CID 15689538
2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-methylpropanamide
CID 62550986
2-amino-2-methylpropan-1-ol;propanoic acid
CID 21404134
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide
CID 79249834
2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbutanamide
CID 107865579
3-fluoro-2-(fluoromethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 167738894
2-amino-N-(2-fluoroethyl)-2-methylpropanamide
CID 130504084

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylpropanoyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid?
The IUPAC name of 2-[(2-amino-2-methylpropanoyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid (CID 71347971) is 2-[(2-amino-2-methylpropanoyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid.
What is the SMILES notation for 2-[(2-amino-2-methylpropanoyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid?
The canonical SMILES for 2-[(2-amino-2-methylpropanoyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid is CC(C)(N)C(=O)NC(CO)(CO)C(=O)O.
What is the InChIKey of 2-[(2-amino-2-methylpropanoyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid?
The InChIKey is PHPYZEXTSQWCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5/c1-7(2,9)5(13)10-8(3-11,4-12)6(14)15/h11-12H,3-4,9H2,1-2H3,(H,10,13)(H,14,15).
What are the key properties of 2-[(2-amino-2-methylpropanoyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid?
2-[(2-amino-2-methylpropanoyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid has a molecular weight of 220.22 g/mol, XLogP of -2.35, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylpropanoyl)amino]-3-hydroxy-2-(hydroxymethyl)propanoic acid is sourced from PubChem (CID 71347971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).