2-[carboxymethyl-[2-(methoxyamino)-2-oxoethyl]amino]acetic acid;ethane

C9H18N2O6 — CID 153337415

IUPAC2-[carboxymethyl-[2-(methoxyamino)-2-oxoethyl]amino]acetic acid;ethane
SMILESCC.CONC(=O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C7H12N2O6.C2H6/c1-15-8-5(10)2-9(3-6(11)12)4-7(13)14;1-2/h2-4H2,1H3,(H,8,10)(H,11,12)(H,13,14);1-2H3
InChIKeyOUPSOWUUELCDLD-UHFFFAOYSA-N
MW250.25 g/mol
LogP-0.84
Rot. Bonds7

About 2-[carboxymethyl-[2-(methoxyamino)-2-oxoethyl]amino]acetic acid;ethane

2-[carboxymethyl-[2-(methoxyamino)-2-oxoethyl]amino]acetic acid;ethane (PubChem CID 153337415) has the molecular formula C9H18N2O6 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-(methoxyamino)-2-oxoethyl]amino]acetic acid;ethane.

Molecular Properties

Compound Name2-[carboxymethyl-[2-(methoxyamino)-2-oxoethyl]amino]acetic acid;ethane
PubChem CID153337415
Molecular FormulaC9H18N2O6
Molecular Weight250.25 g/mol
Exact Mass250.12
IUPAC Name2-[carboxymethyl-[2-(methoxyamino)-2-oxoethyl]amino]acetic acid;ethane
SMILESCC.CONC(=O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C7H12N2O6.C2H6/c1-15-8-5(10)2-9(3-6(11)12)4-7(13)14;1-2/h2-4H2,1H3,(H,8,10)(H,11,12)(H,13,14);1-2H3
InChIKeyOUPSOWUUELCDLD-UHFFFAOYSA-N
XLogP-0.84
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[carboxymethyl-[2-(methoxyamino)-2-oxoethyl]amino]acetic acid;ethane 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-[ethyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid
CID 61011883
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
benzene;2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
CID 158824868
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
CID 23617736
CID 23617736
CID 160559897
CID 160559897
2-[bis(carboxymethyl)amino]acetic acid;cerium
CID 88686592
bis(2-[bis(carboxymethyl)amino]acetic acid);sulfane
CID 87731380
2-[carboxymethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 63646632
azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese
CID 71301305
2-[carboxymethyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid
CID 170732928
5-(methoxyamino)-5-oxopentanoic acid
CID 64974146

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-(methoxyamino)-2-oxoethyl]amino]acetic acid;ethane?
The IUPAC name of 2-[carboxymethyl-[2-(methoxyamino)-2-oxoethyl]amino]acetic acid;ethane (CID 153337415) is 2-[carboxymethyl-[2-(methoxyamino)-2-oxoethyl]amino]acetic acid;ethane.
What is the SMILES notation for 2-[carboxymethyl-[2-(methoxyamino)-2-oxoethyl]amino]acetic acid;ethane?
The canonical SMILES for 2-[carboxymethyl-[2-(methoxyamino)-2-oxoethyl]amino]acetic acid;ethane is CC.CONC(=O)CN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[2-(methoxyamino)-2-oxoethyl]amino]acetic acid;ethane?
The InChIKey is OUPSOWUUELCDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O6.C2H6/c1-15-8-5(10)2-9(3-6(11)12)4-7(13)14;1-2/h2-4H2,1H3,(H,8,10)(H,11,12)(H,13,14);1-2H3.
What are the key properties of 2-[carboxymethyl-[2-(methoxyamino)-2-oxoethyl]amino]acetic acid;ethane?
2-[carboxymethyl-[2-(methoxyamino)-2-oxoethyl]amino]acetic acid;ethane has a molecular weight of 250.25 g/mol, XLogP of -0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-(methoxyamino)-2-oxoethyl]amino]acetic acid;ethane is sourced from PubChem (CID 153337415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).