2-aminoacetic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid

C8H17NO9 — CID 87894515

IUPAC2-aminoacetic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
SMILESNCC(=O)O.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H12O7.C2H5NO2/c7-1-2(8)3(9)4(10)5(11)6(12)13;3-1-2(4)5/h2-5,7-11H,1H2,(H,12,13);1,3H2,(H,4,5)/t2-,3-,4+,5-;/m1./s1
InChIKeyNPFDQMJDMZCDLM-JJKGCWMISA-N
MW271.22 g/mol
LogP-4.46
Rot. Bonds6

About 2-aminoacetic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid

2-aminoacetic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid (PubChem CID 87894515) has the molecular formula C8H17NO9 and a molecular weight of 271.22 g/mol. Its IUPAC name is 2-aminoacetic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid.

Molecular Properties

Compound Name2-aminoacetic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
PubChem CID87894515
Molecular FormulaC8H17NO9
Molecular Weight271.22 g/mol
Exact Mass271.09
IUPAC Name2-aminoacetic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
SMILESNCC(=O)O.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H12O7.C2H5NO2/c7-1-2(8)3(9)4(10)5(11)6(12)13;3-1-2(4)5/h2-5,7-11H,1H2,(H,12,13);1,3H2,(H,4,5)/t2-,3-,4+,5-;/m1./s1
InChIKeyNPFDQMJDMZCDLM-JJKGCWMISA-N
XLogP-4.46
TPSA201.77 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.22
LogP ≤ 5-4.46
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 2-aminoacetic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid with MolForge

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Related Compounds

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy(113C)hexanoic acid
CID 165412478
hexane-1,2,3,4,5,6-hexol;2,3,4,5,6-pentahydroxyhexanoic acid
CID 174726112
(4R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 134944021
(3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 11479470
(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 87972607
copper;pentakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 173123824
copper;bis((2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 14475284
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;(2S,4R)-pentane-1,2,3,4,5-pentol
CID 175899129
2,3,4,5,6-pentahydroxyhexanoic acid;samarium
CID 174356569
pentacosazinc;tridecakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 173246066
(2S,3S,4S,5S,6S)-2,3,4,5,6,7-hexahydroxyheptanoic acid
CID 3084118
azane;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 175905684

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid?
The IUPAC name of 2-aminoacetic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid (CID 87894515) is 2-aminoacetic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid.
What is the SMILES notation for 2-aminoacetic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid?
The canonical SMILES for 2-aminoacetic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid is NCC(=O)O.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of 2-aminoacetic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid?
The InChIKey is NPFDQMJDMZCDLM-JJKGCWMISA-N. The full InChI is InChI=1S/C6H12O7.C2H5NO2/c7-1-2(8)3(9)4(10)5(11)6(12)13;3-1-2(4)5/h2-5,7-11H,1H2,(H,12,13);1,3H2,(H,4,5)/t2-,3-,4+,5-;/m1./s1.
What are the key properties of 2-aminoacetic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid?
2-aminoacetic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid has a molecular weight of 271.22 g/mol, XLogP of -4.46, 6 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid is sourced from PubChem (CID 87894515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).