(2R)-2-aminobutan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid

C8H17NO7 — CID 13437274

IUPAC(2R)-2-aminobutan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid
SMILESCC[C@@H](N)CO.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C4H11NO.C4H6O6/c1-2-4(5)3-6;5-1(3(7)8)2(6)4(9)10/h4,6H,2-3,5H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t4-;1-,2-/m11/s1
InChIKeyZMEGDKGDGOQGDK-SRRYXMDWSA-N
MW239.22 g/mol
LogP-2.41
Rot. Bonds5

About (2R)-2-aminobutan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid

(2R)-2-aminobutan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid (PubChem CID 13437274) has the molecular formula C8H17NO7 and a molecular weight of 239.22 g/mol. Its IUPAC name is (2R)-2-aminobutan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid.

Molecular Properties

Compound Name(2R)-2-aminobutan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid
PubChem CID13437274
Molecular FormulaC8H17NO7
Molecular Weight239.22 g/mol
Exact Mass239.10
IUPAC Name(2R)-2-aminobutan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid
SMILESCC[C@@H](N)CO.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C4H11NO.C4H6O6/c1-2-4(5)3-6;5-1(3(7)8)2(6)4(9)10/h4,6H,2-3,5H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t4-;1-,2-/m11/s1
InChIKeyZMEGDKGDGOQGDK-SRRYXMDWSA-N
XLogP-2.41
TPSA161.31 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.22
LogP ≤ 5-2.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (2R)-2-aminobutan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminobutan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid?
The IUPAC name of (2R)-2-aminobutan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid (CID 13437274) is (2R)-2-aminobutan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid.
What is the SMILES notation for (2R)-2-aminobutan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid?
The canonical SMILES for (2R)-2-aminobutan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid is CC[C@@H](N)CO.O=C(O)[C@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of (2R)-2-aminobutan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid?
The InChIKey is ZMEGDKGDGOQGDK-SRRYXMDWSA-N. The full InChI is InChI=1S/C4H11NO.C4H6O6/c1-2-4(5)3-6;5-1(3(7)8)2(6)4(9)10/h4,6H,2-3,5H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t4-;1-,2-/m11/s1.
What are the key properties of (2R)-2-aminobutan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid?
(2R)-2-aminobutan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid has a molecular weight of 239.22 g/mol, XLogP of -2.41, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-aminobutan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid is sourced from PubChem (CID 13437274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).