2-amino-2-[(4R,6R)-6-(carboxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]propanoic acid

C11H19NO6 — CID 175091261

IUPAC2-amino-2-[(4R,6R)-6-(carboxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]propanoic acid
SMILESCC1(C)O[C@@H](CC(=O)O)C[C@H](C(C)(N)C(=O)O)O1
InChIInChI=1S/C11H19NO6/c1-10(2)17-6(5-8(13)14)4-7(18-10)11(3,12)9(15)16/h6-7H,4-5,12H2,1-3H3,(H,13,14)(H,15,16)/t6-,7-,11?/m1/s1
InChIKeyMTOLEODNAXLPGC-CZGZLPJCSA-N
MW261.27 g/mol
LogP0.17
Rot. Bonds4

About 2-amino-2-[(4R,6R)-6-(carboxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]propanoic acid

2-amino-2-[(4R,6R)-6-(carboxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]propanoic acid (PubChem CID 175091261) has the molecular formula C11H19NO6 and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-amino-2-[(4R,6R)-6-(carboxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-2-[(4R,6R)-6-(carboxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]propanoic acid
PubChem CID175091261
Molecular FormulaC11H19NO6
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name2-amino-2-[(4R,6R)-6-(carboxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]propanoic acid
SMILESCC1(C)O[C@@H](CC(=O)O)C[C@H](C(C)(N)C(=O)O)O1
InChIInChI=1S/C11H19NO6/c1-10(2)17-6(5-8(13)14)4-7(18-10)11(3,12)9(15)16/h6-7H,4-5,12H2,1-3H3,(H,13,14)(H,15,16)/t6-,7-,11?/m1/s1
InChIKeyMTOLEODNAXLPGC-CZGZLPJCSA-N
XLogP0.17
TPSA119.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[(4R,6R)-6-(carboxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]propanoic acid?
The IUPAC name of 2-amino-2-[(4R,6R)-6-(carboxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]propanoic acid (CID 175091261) is 2-amino-2-[(4R,6R)-6-(carboxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]propanoic acid.
What is the SMILES notation for 2-amino-2-[(4R,6R)-6-(carboxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]propanoic acid?
The canonical SMILES for 2-amino-2-[(4R,6R)-6-(carboxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]propanoic acid is CC1(C)O[C@@H](CC(=O)O)C[C@H](C(C)(N)C(=O)O)O1.
What is the InChIKey of 2-amino-2-[(4R,6R)-6-(carboxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]propanoic acid?
The InChIKey is MTOLEODNAXLPGC-CZGZLPJCSA-N. The full InChI is InChI=1S/C11H19NO6/c1-10(2)17-6(5-8(13)14)4-7(18-10)11(3,12)9(15)16/h6-7H,4-5,12H2,1-3H3,(H,13,14)(H,15,16)/t6-,7-,11?/m1/s1.
What are the key properties of 2-amino-2-[(4R,6R)-6-(carboxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]propanoic acid?
2-amino-2-[(4R,6R)-6-(carboxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]propanoic acid has a molecular weight of 261.27 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[(4R,6R)-6-(carboxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]propanoic acid is sourced from PubChem (CID 175091261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).