(2R,3R)-2,3-dihydroxybutanedioic acid;(2R)-N-methyl-1-phenylpropan-2-amine

C14H21NO6 — CID 134990788

IUPAC(2R,3R)-2,3-dihydroxybutanedioic acid;(2R)-N-methyl-1-phenylpropan-2-amine
SMILESCN[C@H](C)Cc1ccccc1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C10H15N.C4H6O6/c1-9(11-2)8-10-6-4-3-5-7-10;5-1(3(7)8)2(6)4(9)10/h3-7,9,11H,8H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t9-;1-,2-/m11/s1
InChIKeySOSGXQJCXKXQCB-KZKMUFAMSA-N
MW299.32 g/mol
LogP-0.29
Rot. Bonds6

About (2R,3R)-2,3-dihydroxybutanedioic acid;(2R)-N-methyl-1-phenylpropan-2-amine

(2R,3R)-2,3-dihydroxybutanedioic acid;(2R)-N-methyl-1-phenylpropan-2-amine (PubChem CID 134990788) has the molecular formula C14H21NO6 and a molecular weight of 299.32 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxybutanedioic acid;(2R)-N-methyl-1-phenylpropan-2-amine.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxybutanedioic acid;(2R)-N-methyl-1-phenylpropan-2-amine
PubChem CID134990788
Molecular FormulaC14H21NO6
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name(2R,3R)-2,3-dihydroxybutanedioic acid;(2R)-N-methyl-1-phenylpropan-2-amine
SMILESCN[C@H](C)Cc1ccccc1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C10H15N.C4H6O6/c1-9(11-2)8-10-6-4-3-5-7-10;5-1(3(7)8)2(6)4(9)10/h3-7,9,11H,8H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t9-;1-,2-/m11/s1
InChIKeySOSGXQJCXKXQCB-KZKMUFAMSA-N
XLogP-0.29
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 5-0.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxybutanedioic acid;(2R)-N-methyl-1-phenylpropan-2-amine?
The IUPAC name of (2R,3R)-2,3-dihydroxybutanedioic acid;(2R)-N-methyl-1-phenylpropan-2-amine (CID 134990788) is (2R,3R)-2,3-dihydroxybutanedioic acid;(2R)-N-methyl-1-phenylpropan-2-amine.
What is the SMILES notation for (2R,3R)-2,3-dihydroxybutanedioic acid;(2R)-N-methyl-1-phenylpropan-2-amine?
The canonical SMILES for (2R,3R)-2,3-dihydroxybutanedioic acid;(2R)-N-methyl-1-phenylpropan-2-amine is CN[C@H](C)Cc1ccccc1.O=C(O)[C@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3R)-2,3-dihydroxybutanedioic acid;(2R)-N-methyl-1-phenylpropan-2-amine?
The InChIKey is SOSGXQJCXKXQCB-KZKMUFAMSA-N. The full InChI is InChI=1S/C10H15N.C4H6O6/c1-9(11-2)8-10-6-4-3-5-7-10;5-1(3(7)8)2(6)4(9)10/h3-7,9,11H,8H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t9-;1-,2-/m11/s1.
What are the key properties of (2R,3R)-2,3-dihydroxybutanedioic acid;(2R)-N-methyl-1-phenylpropan-2-amine?
(2R,3R)-2,3-dihydroxybutanedioic acid;(2R)-N-methyl-1-phenylpropan-2-amine has a molecular weight of 299.32 g/mol, XLogP of -0.29, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxybutanedioic acid;(2R)-N-methyl-1-phenylpropan-2-amine is sourced from PubChem (CID 134990788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).