2-[(4R,6R)-6-(2-aminoethyl)-1,3-dioxan-4-yl]acetic acid

C8H15NO4 — CID 15045150

IUPAC2-[(4R,6R)-6-(2-aminoethyl)-1,3-dioxan-4-yl]acetic acid
SMILESNCC[C@@H]1C[C@H](CC(=O)O)OCO1
InChIInChI=1S/C8H15NO4/c9-2-1-6-3-7(4-8(10)11)13-5-12-6/h6-7H,1-5,9H2,(H,10,11)/t6-,7-/m1/s1
InChIKeyAQCCDCWWIAQFSK-RNFRBKRXSA-N
MW189.21 g/mol
LogP-0.06
Rot. Bonds4

About 2-[(4R,6R)-6-(2-aminoethyl)-1,3-dioxan-4-yl]acetic acid

2-[(4R,6R)-6-(2-aminoethyl)-1,3-dioxan-4-yl]acetic acid (PubChem CID 15045150) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-[(4R,6R)-6-(2-aminoethyl)-1,3-dioxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R,6R)-6-(2-aminoethyl)-1,3-dioxan-4-yl]acetic acid
PubChem CID15045150
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-[(4R,6R)-6-(2-aminoethyl)-1,3-dioxan-4-yl]acetic acid
SMILESNCC[C@@H]1C[C@H](CC(=O)O)OCO1
InChIInChI=1S/C8H15NO4/c9-2-1-6-3-7(4-8(10)11)13-5-12-6/h6-7H,1-5,9H2,(H,10,11)/t6-,7-/m1/s1
InChIKeyAQCCDCWWIAQFSK-RNFRBKRXSA-N
XLogP-0.06
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R,4R)-2-(2-aminoethyl)-1,5-dioxaspiro[5.5]undecan-4-yl]acetic acid
CID 15045142
2-[(2S,4S)-2-(2-aminoethyl)-1,3-dioxan-4-yl]acetic acid
CID 151991789
2-[3-(2-aminoethyl)cyclohexyl]acetic acid
CID 68626637
2-(4-aminooxan-2-yl)acetic acid;hydrochloride
CID 154856623
2-[2,5-bis(carboxymethyl)oxan-4-yl]acetic acid
CID 172729629
2-[(2S,4S)-2-aminooxan-4-yl]acetic acid
CID 129391535
2-(1,4-oxathian-2-yl)acetic acid
CID 83669412
2-[(4R)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
CID 57485207
methyl 2-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 11253244
2-[4-(trifluoromethyl)oxan-2-yl]acetic acid
CID 164905433
2-[6-(methoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
CID 18716202
2-[2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetic acid
CID 20771245

Frequently Asked Questions

What is the IUPAC name of 2-[(4R,6R)-6-(2-aminoethyl)-1,3-dioxan-4-yl]acetic acid?
The IUPAC name of 2-[(4R,6R)-6-(2-aminoethyl)-1,3-dioxan-4-yl]acetic acid (CID 15045150) is 2-[(4R,6R)-6-(2-aminoethyl)-1,3-dioxan-4-yl]acetic acid.
What is the SMILES notation for 2-[(4R,6R)-6-(2-aminoethyl)-1,3-dioxan-4-yl]acetic acid?
The canonical SMILES for 2-[(4R,6R)-6-(2-aminoethyl)-1,3-dioxan-4-yl]acetic acid is NCC[C@@H]1C[C@H](CC(=O)O)OCO1.
What is the InChIKey of 2-[(4R,6R)-6-(2-aminoethyl)-1,3-dioxan-4-yl]acetic acid?
The InChIKey is AQCCDCWWIAQFSK-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H15NO4/c9-2-1-6-3-7(4-8(10)11)13-5-12-6/h6-7H,1-5,9H2,(H,10,11)/t6-,7-/m1/s1.
What are the key properties of 2-[(4R,6R)-6-(2-aminoethyl)-1,3-dioxan-4-yl]acetic acid?
2-[(4R,6R)-6-(2-aminoethyl)-1,3-dioxan-4-yl]acetic acid has a molecular weight of 189.21 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,6R)-6-(2-aminoethyl)-1,3-dioxan-4-yl]acetic acid is sourced from PubChem (CID 15045150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).