2-[[[carboxy(hydroxy)methoxy]carbonylamino]methylcarbamoyloxy]-2-hydroxyacetic acid

C7H10N2O10 — CID 20645206

IUPAC2-[[[carboxy(hydroxy)methoxy]carbonylamino]methylcarbamoyloxy]-2-hydroxyacetic acid
SMILESO=C(NCNC(=O)OC(O)C(=O)O)OC(O)C(=O)O
InChIInChI=1S/C7H10N2O10/c10-2(11)4(14)18-6(16)8-1-9-7(17)19-5(15)3(12)13/h4-5,14-15H,1H2,(H,8,16)(H,9,17)(H,10,11)(H,12,13)
InChIKeyCPCXICCDQYMKDV-UHFFFAOYSA-N
MW282.16 g/mol
LogP-2.80
Rot. Bonds6

About 2-[[[carboxy(hydroxy)methoxy]carbonylamino]methylcarbamoyloxy]-2-hydroxyacetic acid

2-[[[carboxy(hydroxy)methoxy]carbonylamino]methylcarbamoyloxy]-2-hydroxyacetic acid (PubChem CID 20645206) has the molecular formula C7H10N2O10 and a molecular weight of 282.16 g/mol. Its IUPAC name is 2-[[[carboxy(hydroxy)methoxy]carbonylamino]methylcarbamoyloxy]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[[[carboxy(hydroxy)methoxy]carbonylamino]methylcarbamoyloxy]-2-hydroxyacetic acid
PubChem CID20645206
Molecular FormulaC7H10N2O10
Molecular Weight282.16 g/mol
Exact Mass282.03
IUPAC Name2-[[[carboxy(hydroxy)methoxy]carbonylamino]methylcarbamoyloxy]-2-hydroxyacetic acid
SMILESO=C(NCNC(=O)OC(O)C(=O)O)OC(O)C(=O)O
InChIInChI=1S/C7H10N2O10/c10-2(11)4(14)18-6(16)8-1-9-7(17)19-5(15)3(12)13/h4-5,14-15H,1H2,(H,8,16)(H,9,17)(H,10,11)(H,12,13)
InChIKeyCPCXICCDQYMKDV-UHFFFAOYSA-N
XLogP-2.80
TPSA191.72 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.16
LogP ≤ 5-2.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-2-oxalooxyacetic acid
CID 54332324
trisodium;4-[carboxy(hydroxy)methoxy]-4-oxobutanoic acid;hydride
CID 173363089
[1-[2-[2-[2-(acetamidomethylcarbamoyloxy)propanoyloxy]propanoyloxy]ethoxy]-1-oxopropan-2-yl] 2-methoxypropanoate
CID 59464762
hydroxymethyl N-[(hydroxymethoxycarbonylamino)methyl]carbamate
CID 20609208
2-hydroxybutyl N-[(2-hydroxybutoxycarbonylamino)methyl]carbamate
CID 59791185
propan-2-yl N-(3-methylbut-2-enyl)carbamate
CID 106186267
(2R)-2-aminooxy-2-hydroxyacetic acid
CID 90135688
dihydroxymethyl N-propylcarbamate
CID 174469308
(2R,3R,4R,5S)-2,3,4,5-tetraacetyloxyhexanedioic acid
CID 99723141
tert-butyl N-(acetamidomethyl)carbamate
CID 5325897
2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid
CID 106108243
(2R)-3-[(2R)-2-carboxy-2-hydroxyethyl]sulfanyl-2-hydroxypropanoic acid
CID 90958132

Frequently Asked Questions

What is the IUPAC name of 2-[[[carboxy(hydroxy)methoxy]carbonylamino]methylcarbamoyloxy]-2-hydroxyacetic acid?
The IUPAC name of 2-[[[carboxy(hydroxy)methoxy]carbonylamino]methylcarbamoyloxy]-2-hydroxyacetic acid (CID 20645206) is 2-[[[carboxy(hydroxy)methoxy]carbonylamino]methylcarbamoyloxy]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[[[carboxy(hydroxy)methoxy]carbonylamino]methylcarbamoyloxy]-2-hydroxyacetic acid?
The canonical SMILES for 2-[[[carboxy(hydroxy)methoxy]carbonylamino]methylcarbamoyloxy]-2-hydroxyacetic acid is O=C(NCNC(=O)OC(O)C(=O)O)OC(O)C(=O)O.
What is the InChIKey of 2-[[[carboxy(hydroxy)methoxy]carbonylamino]methylcarbamoyloxy]-2-hydroxyacetic acid?
The InChIKey is CPCXICCDQYMKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O10/c10-2(11)4(14)18-6(16)8-1-9-7(17)19-5(15)3(12)13/h4-5,14-15H,1H2,(H,8,16)(H,9,17)(H,10,11)(H,12,13).
What are the key properties of 2-[[[carboxy(hydroxy)methoxy]carbonylamino]methylcarbamoyloxy]-2-hydroxyacetic acid?
2-[[[carboxy(hydroxy)methoxy]carbonylamino]methylcarbamoyloxy]-2-hydroxyacetic acid has a molecular weight of 282.16 g/mol, XLogP of -2.80, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[carboxy(hydroxy)methoxy]carbonylamino]methylcarbamoyloxy]-2-hydroxyacetic acid is sourced from PubChem (CID 20645206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).