2-amino-2-[5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetic acid

C8H15NO7 — CID 146516962

IUPAC2-amino-2-[5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetic acid
SMILESNC(C(=O)O)C1OC([C@H](O)CO)C(O)C1O
InChIInChI=1S/C8H15NO7/c9-3(8(14)15)7-5(13)4(12)6(16-7)2(11)1-10/h2-7,10-13H,1,9H2,(H,14,15)/t2-,3?,4?,5?,6?,7?/m1/s1
InChIKeyVMHFLGJNARSBGI-QGICPOGUSA-N
MW237.21 g/mol
LogP-3.76
Rot. Bonds4

About 2-amino-2-[5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetic acid

2-amino-2-[5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetic acid (PubChem CID 146516962) has the molecular formula C8H15NO7 and a molecular weight of 237.21 g/mol. Its IUPAC name is 2-amino-2-[5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetic acid
PubChem CID146516962
Molecular FormulaC8H15NO7
Molecular Weight237.21 g/mol
Exact Mass237.08
IUPAC Name2-amino-2-[5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetic acid
SMILESNC(C(=O)O)C1OC([C@H](O)CO)C(O)C1O
InChIInChI=1S/C8H15NO7/c9-3(8(14)15)7-5(13)4(12)6(16-7)2(11)1-10/h2-7,10-13H,1,9H2,(H,14,15)/t2-,3?,4?,5?,6?,7?/m1/s1
InChIKeyVMHFLGJNARSBGI-QGICPOGUSA-N
XLogP-3.76
TPSA153.47 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.21
LogP ≤ 5-3.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-2-[(4R,5S)-3,4,5-trihydroxyoxolan-2-yl]acetic acid
CID 89219684
1-[(2R,3S,4R,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]propan-2-one
CID 102214632
(2S,3R,4R,5R)-2-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 101201136
(2R,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 53249955
(2R,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 137349473
(2S,3S,4S,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 67949243
(2R,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 129307306
(3R,4R,5R)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 15560221
(3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 15560232
(2S,3R,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol;(2R,3R,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol;(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol;(2S,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol;(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol;(2R,3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol;bis((2R,4R,5R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol);(2R,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;bis((2S,4R,5R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol);(2S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 162125370
(4R,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 172641949
(2R,3S,4S,5S,6R)-6-(1,2-dihydroxyethyl)oxane-2,3,4,5-tetrol
CID 69188119

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetic acid?
The IUPAC name of 2-amino-2-[5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetic acid (CID 146516962) is 2-amino-2-[5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetic acid?
The canonical SMILES for 2-amino-2-[5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetic acid is NC(C(=O)O)C1OC([C@H](O)CO)C(O)C1O.
What is the InChIKey of 2-amino-2-[5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetic acid?
The InChIKey is VMHFLGJNARSBGI-QGICPOGUSA-N. The full InChI is InChI=1S/C8H15NO7/c9-3(8(14)15)7-5(13)4(12)6(16-7)2(11)1-10/h2-7,10-13H,1,9H2,(H,14,15)/t2-,3?,4?,5?,6?,7?/m1/s1.
What are the key properties of 2-amino-2-[5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetic acid?
2-amino-2-[5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetic acid has a molecular weight of 237.21 g/mol, XLogP of -3.76, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetic acid is sourced from PubChem (CID 146516962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).