2,3-diamino-2-(hydroxymethyl)butanoic acid

C5H12N2O3 — CID 22035189

IUPAC2,3-diamino-2-(hydroxymethyl)butanoic acid
SMILESCC(N)C(N)(CO)C(=O)O
InChIInChI=1S/C5H12N2O3/c1-3(6)5(7,2-8)4(9)10/h3,8H,2,6-7H2,1H3,(H,9,10)
InChIKeyNQHIBMQGVKGTBY-UHFFFAOYSA-N
MW148.16 g/mol
LogP-1.89
Rot. Bonds3

About 2,3-diamino-2-(hydroxymethyl)butanoic acid

2,3-diamino-2-(hydroxymethyl)butanoic acid (PubChem CID 22035189) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2,3-diamino-2-(hydroxymethyl)butanoic acid.

Molecular Properties

Compound Name2,3-diamino-2-(hydroxymethyl)butanoic acid
PubChem CID22035189
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name2,3-diamino-2-(hydroxymethyl)butanoic acid
SMILESCC(N)C(N)(CO)C(=O)O
InChIInChI=1S/C5H12N2O3/c1-3(6)5(7,2-8)4(9)10/h3,8H,2,6-7H2,1H3,(H,9,10)
InChIKeyNQHIBMQGVKGTBY-UHFFFAOYSA-N
XLogP-1.89
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-ethyl-3-methylbutanoic acid
CID 54561958
(2S)-2-amino-2-(2-fluoroethyl)-3-methylbutanoic acid
CID 125427224
CID 88582451
CID 88582451
acetic acid;2-amino-2-propan-2-ylpropane-1,3-diol
CID 86741967
2-methylbutane-2,3-diamine;bis(2,2,2-trifluoroacetic acid)
CID 171930864
2-amino-3-methyl-2-(2-methylpropyl)pentanoic acid
CID 19431547
2-amino-2-methylpropan-1-ol;carbonic acid
CID 21330274
(2S,3S)-2-amino-3-hydroxy-2-(hydroxymethyl)-14-oxoicosanoic acid
CID 10834102
2,2-diamino-3-methyl-4-oxopentanoic acid
CID 23065100
2-amino-2-hydroxy-3-methylbutanoic acid
CID 5320350
3,4-diamino-2-(hydroxymethyl)-2-methylbutanoic acid
CID 87840763
2-amino-3-methyl-2-propylpent-4-enoic acid
CID 11062857

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-2-(hydroxymethyl)butanoic acid?
The IUPAC name of 2,3-diamino-2-(hydroxymethyl)butanoic acid (CID 22035189) is 2,3-diamino-2-(hydroxymethyl)butanoic acid.
What is the SMILES notation for 2,3-diamino-2-(hydroxymethyl)butanoic acid?
The canonical SMILES for 2,3-diamino-2-(hydroxymethyl)butanoic acid is CC(N)C(N)(CO)C(=O)O.
What is the InChIKey of 2,3-diamino-2-(hydroxymethyl)butanoic acid?
The InChIKey is NQHIBMQGVKGTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3/c1-3(6)5(7,2-8)4(9)10/h3,8H,2,6-7H2,1H3,(H,9,10).
What are the key properties of 2,3-diamino-2-(hydroxymethyl)butanoic acid?
2,3-diamino-2-(hydroxymethyl)butanoic acid has a molecular weight of 148.16 g/mol, XLogP of -1.89, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-2-(hydroxymethyl)butanoic acid is sourced from PubChem (CID 22035189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).