2-[carboxymethyl(2,3,4,5,6-pentahydroxyhexyl)amino]acetic acid

C10H19NO9 — CID 4083060

IUPAC2-[carboxymethyl(2,3,4,5,6-pentahydroxyhexyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C10H19NO9/c12-4-6(14)10(20)9(19)5(13)1-11(2-7(15)16)3-8(17)18/h5-6,9-10,12-14,19-20H,1-4H2,(H,15,16)(H,17,18)
InChIKeyNNJYRENMDXLMEC-UHFFFAOYSA-N
MW297.26 g/mol
LogP-4.11
Rot. Bonds10

About 2-[carboxymethyl(2,3,4,5,6-pentahydroxyhexyl)amino]acetic acid

2-[carboxymethyl(2,3,4,5,6-pentahydroxyhexyl)amino]acetic acid (PubChem CID 4083060) has the molecular formula C10H19NO9 and a molecular weight of 297.26 g/mol. Its IUPAC name is 2-[carboxymethyl(2,3,4,5,6-pentahydroxyhexyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(2,3,4,5,6-pentahydroxyhexyl)amino]acetic acid
PubChem CID4083060
Molecular FormulaC10H19NO9
Molecular Weight297.26 g/mol
Exact Mass297.11
IUPAC Name2-[carboxymethyl(2,3,4,5,6-pentahydroxyhexyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C10H19NO9/c12-4-6(14)10(20)9(19)5(13)1-11(2-7(15)16)3-8(17)18/h5-6,9-10,12-14,19-20H,1-4H2,(H,15,16)(H,17,18)
InChIKeyNNJYRENMDXLMEC-UHFFFAOYSA-N
XLogP-4.11
TPSA178.99 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.26
LogP ≤ 5-4.11
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Analyze 2-[carboxymethyl(2,3,4,5,6-pentahydroxyhexyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[carboxylatomethyl(2,3,4,5,6-pentahydroxyhexyl)amino]acetate
CID 4083059
(2R,3S,4R,5R)-2-[1,2-bis[bis(carboxymethyl)amino]ethyl]-2,3,4,5,6-pentahydroxyhexanoic acid
CID 173095914
acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 155668282
6-(dimethylamino)hexane-1,2,3,4,5-pentol;ethane
CID 171505184
2-[carboxymethyl-[2-[carboxymethyl-[2-oxo-2-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]oxyethyl]amino]ethyl]amino]acetic acid
CID 18390944
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
sodium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydrogen carbonate
CID 86586928
4,5,6,7,8-pentahydroxyoctanoic acid
CID 87558664
(2R,3R,4R,5S)-6-[2-aminoethyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]hexane-1,2,3,4,5-pentol;dihydrochloride
CID 139580803
ethane;(Z)-4-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-4-oxobut-2-enoic acid
CID 144965055

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(2,3,4,5,6-pentahydroxyhexyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(2,3,4,5,6-pentahydroxyhexyl)amino]acetic acid (CID 4083060) is 2-[carboxymethyl(2,3,4,5,6-pentahydroxyhexyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(2,3,4,5,6-pentahydroxyhexyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(2,3,4,5,6-pentahydroxyhexyl)amino]acetic acid is O=C(O)CN(CC(=O)O)CC(O)C(O)C(O)C(O)CO.
What is the InChIKey of 2-[carboxymethyl(2,3,4,5,6-pentahydroxyhexyl)amino]acetic acid?
The InChIKey is NNJYRENMDXLMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO9/c12-4-6(14)10(20)9(19)5(13)1-11(2-7(15)16)3-8(17)18/h5-6,9-10,12-14,19-20H,1-4H2,(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl(2,3,4,5,6-pentahydroxyhexyl)amino]acetic acid?
2-[carboxymethyl(2,3,4,5,6-pentahydroxyhexyl)amino]acetic acid has a molecular weight of 297.26 g/mol, XLogP of -4.11, 10 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(2,3,4,5,6-pentahydroxyhexyl)amino]acetic acid is sourced from PubChem (CID 4083060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).