3-(carboxymethoxyamino)-3-[(carboxymethoxyamino)methyl]pentanedioic acid

C10H16N2O10 — CID 87679522

IUPAC3-(carboxymethoxyamino)-3-[(carboxymethoxyamino)methyl]pentanedioic acid
SMILESO=C(O)CONCC(CC(=O)O)(CC(=O)O)NOCC(=O)O
InChIInChI=1S/C10H16N2O10/c13-6(14)1-10(2-7(15)16,12-22-4-9(19)20)5-11-21-3-8(17)18/h11-12H,1-5H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKeyMFOFCVDMSZNHCP-UHFFFAOYSA-N
MW324.24 g/mol
LogP-2.11
Rot. Bonds13

About 3-(carboxymethoxyamino)-3-[(carboxymethoxyamino)methyl]pentanedioic acid

3-(carboxymethoxyamino)-3-[(carboxymethoxyamino)methyl]pentanedioic acid (PubChem CID 87679522) has the molecular formula C10H16N2O10 and a molecular weight of 324.24 g/mol. Its IUPAC name is 3-(carboxymethoxyamino)-3-[(carboxymethoxyamino)methyl]pentanedioic acid.

Molecular Properties

Compound Name3-(carboxymethoxyamino)-3-[(carboxymethoxyamino)methyl]pentanedioic acid
PubChem CID87679522
Molecular FormulaC10H16N2O10
Molecular Weight324.24 g/mol
Exact Mass324.08
IUPAC Name3-(carboxymethoxyamino)-3-[(carboxymethoxyamino)methyl]pentanedioic acid
SMILESO=C(O)CONCC(CC(=O)O)(CC(=O)O)NOCC(=O)O
InChIInChI=1S/C10H16N2O10/c13-6(14)1-10(2-7(15)16,12-22-4-9(19)20)5-11-21-3-8(17)18/h11-12H,1-5H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKeyMFOFCVDMSZNHCP-UHFFFAOYSA-N
XLogP-2.11
TPSA191.72 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.24
LogP ≤ 5-2.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(carboxymethoxyamino)ethylamino]oxyacetic acid
CID 87407867
2-(carboxymethoxy)acetic acid;sulfane
CID 158807579
2-(carboxymethoxy)acetic acid;hydrochloride
CID 174705448
2-(ethylcarbamoylamino)oxyacetic acid
CID 53397416
2-(methanesulfonamidooxy)acetic acid
CID 60661264
2-[3-(carboxymethoxy)-2,2-bis(carboxymethoxymethyl)propoxy]acetic acid
CID 12729088
3-ethyl-3-hydroxypentanoic acid
CID 11513768
sodium;3-(carboxymethylamino)-3-[(carboxymethylamino)methyl]pentanedioic acid;hydride
CID 173228651
2-(propan-2-ylsulfamoyloxy)acetic acid
CID 19834552
2-(2-ethoxypropan-2-yloxy)acetic acid
CID 89112124
ethoxyethane;3,3,3-trichloropropanoic acid
CID 88517444
2-(2-iodoethenylamino)oxyacetic acid
CID 57199610

Frequently Asked Questions

What is the IUPAC name of 3-(carboxymethoxyamino)-3-[(carboxymethoxyamino)methyl]pentanedioic acid?
The IUPAC name of 3-(carboxymethoxyamino)-3-[(carboxymethoxyamino)methyl]pentanedioic acid (CID 87679522) is 3-(carboxymethoxyamino)-3-[(carboxymethoxyamino)methyl]pentanedioic acid.
What is the SMILES notation for 3-(carboxymethoxyamino)-3-[(carboxymethoxyamino)methyl]pentanedioic acid?
The canonical SMILES for 3-(carboxymethoxyamino)-3-[(carboxymethoxyamino)methyl]pentanedioic acid is O=C(O)CONCC(CC(=O)O)(CC(=O)O)NOCC(=O)O.
What is the InChIKey of 3-(carboxymethoxyamino)-3-[(carboxymethoxyamino)methyl]pentanedioic acid?
The InChIKey is MFOFCVDMSZNHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O10/c13-6(14)1-10(2-7(15)16,12-22-4-9(19)20)5-11-21-3-8(17)18/h11-12H,1-5H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20).
What are the key properties of 3-(carboxymethoxyamino)-3-[(carboxymethoxyamino)methyl]pentanedioic acid?
3-(carboxymethoxyamino)-3-[(carboxymethoxyamino)methyl]pentanedioic acid has a molecular weight of 324.24 g/mol, XLogP of -2.11, 13 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxymethoxyamino)-3-[(carboxymethoxyamino)methyl]pentanedioic acid is sourced from PubChem (CID 87679522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).