2-amino-2-[(4R,5S)-3,4,5-trihydroxyoxolan-2-yl]acetic acid

C6H11NO6 — CID 89219684

IUPAC2-amino-2-[(4R,5S)-3,4,5-trihydroxyoxolan-2-yl]acetic acid
SMILESNC(C(=O)O)C1O[C@H](O)[C@H](O)C1O
InChIInChI=1S/C6H11NO6/c7-1(5(10)11)4-2(8)3(9)6(12)13-4/h1-4,6,8-9,12H,7H2,(H,10,11)/t1?,2?,3-,4?,6+/m1/s1
InChIKeyXRNBFBDIPHULHR-XSJIORHASA-N
MW193.16 g/mol
LogP-3.16
Rot. Bonds2

About 2-amino-2-[(4R,5S)-3,4,5-trihydroxyoxolan-2-yl]acetic acid

2-amino-2-[(4R,5S)-3,4,5-trihydroxyoxolan-2-yl]acetic acid (PubChem CID 89219684) has the molecular formula C6H11NO6 and a molecular weight of 193.16 g/mol. Its IUPAC name is 2-amino-2-[(4R,5S)-3,4,5-trihydroxyoxolan-2-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[(4R,5S)-3,4,5-trihydroxyoxolan-2-yl]acetic acid
PubChem CID89219684
Molecular FormulaC6H11NO6
Molecular Weight193.16 g/mol
Exact Mass193.06
IUPAC Name2-amino-2-[(4R,5S)-3,4,5-trihydroxyoxolan-2-yl]acetic acid
SMILESNC(C(=O)O)C1O[C@H](O)[C@H](O)C1O
InChIInChI=1S/C6H11NO6/c7-1(5(10)11)4-2(8)3(9)6(12)13-4/h1-4,6,8-9,12H,7H2,(H,10,11)/t1?,2?,3-,4?,6+/m1/s1
InChIKeyXRNBFBDIPHULHR-XSJIORHASA-N
XLogP-3.16
TPSA133.24 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 5-3.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-[5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetic acid
CID 146516962
(3R,4S,5R,6S)-6-[amino(hydroxy)methyl]oxane-2,3,4,5-tetrol
CID 67877059
hydroxy-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid
CID 101411214
(2S)-2,4-diamino-4-oxobutanoic acid;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 160868512
2-hydroxy-2-(3,4,5-trihydroxyoxolan-2-yl)acetaldehyde
CID 88900541
(2R,3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;oxalic acid
CID 11572561
(2R,4S,5R)-6-(difluoromethyl)oxane-2,3,4,5-tetrol
CID 71165156
(2R,3S,4S,5R)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol
CID 22885266
[2-hydroxy-2-(3,4,5,6-tetrahydroxyoxan-2-yl)ethyl] carbamate
CID 18981096
2-hydroxy-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetic acid
CID 134610723
acetic acid;6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 67893227
2-amino-4-methylsulfanylbutanoic acid;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 142648969

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[(4R,5S)-3,4,5-trihydroxyoxolan-2-yl]acetic acid?
The IUPAC name of 2-amino-2-[(4R,5S)-3,4,5-trihydroxyoxolan-2-yl]acetic acid (CID 89219684) is 2-amino-2-[(4R,5S)-3,4,5-trihydroxyoxolan-2-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[(4R,5S)-3,4,5-trihydroxyoxolan-2-yl]acetic acid?
The canonical SMILES for 2-amino-2-[(4R,5S)-3,4,5-trihydroxyoxolan-2-yl]acetic acid is NC(C(=O)O)C1O[C@H](O)[C@H](O)C1O.
What is the InChIKey of 2-amino-2-[(4R,5S)-3,4,5-trihydroxyoxolan-2-yl]acetic acid?
The InChIKey is XRNBFBDIPHULHR-XSJIORHASA-N. The full InChI is InChI=1S/C6H11NO6/c7-1(5(10)11)4-2(8)3(9)6(12)13-4/h1-4,6,8-9,12H,7H2,(H,10,11)/t1?,2?,3-,4?,6+/m1/s1.
What are the key properties of 2-amino-2-[(4R,5S)-3,4,5-trihydroxyoxolan-2-yl]acetic acid?
2-amino-2-[(4R,5S)-3,4,5-trihydroxyoxolan-2-yl]acetic acid has a molecular weight of 193.16 g/mol, XLogP of -3.16, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[(4R,5S)-3,4,5-trihydroxyoxolan-2-yl]acetic acid is sourced from PubChem (CID 89219684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).