benzene;2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]acetic acid

C13H17NO6 — CID 158824868

IUPACbenzene;2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
SMILESCOC(=O)CN(CC(=O)O)CC(=O)O.c1ccccc1
InChIInChI=1S/C7H11NO6.C6H6/c1-14-7(13)4-8(2-5(9)10)3-6(11)12;1-2-4-6-5-3-1/h2-4H2,1H3,(H,9,10)(H,11,12);1-6H
InChIKeyIWIFOGKHVVFHAO-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.32
Rot. Bonds6

About benzene;2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]acetic acid

benzene;2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]acetic acid (PubChem CID 158824868) has the molecular formula C13H17NO6 and a molecular weight of 283.28 g/mol. Its IUPAC name is benzene;2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]acetic acid.

Molecular Properties

Compound Namebenzene;2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
PubChem CID158824868
Molecular FormulaC13H17NO6
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Namebenzene;2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
SMILESCOC(=O)CN(CC(=O)O)CC(=O)O.c1ccccc1
InChIInChI=1S/C7H11NO6.C6H6/c1-14-7(13)4-8(2-5(9)10)3-6(11)12;1-2-4-6-5-3-1/h2-4H2,1H3,(H,9,10)(H,11,12);1-6H
InChIKeyIWIFOGKHVVFHAO-UHFFFAOYSA-N
XLogP0.32
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
CID 87578927
2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
CID 19388423
methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 90025602
2-[(2-methoxy-2-oxoethyl)-[2-[(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
CID 23196993
methyl 2-[bis(2-amino-2-oxoethyl)amino]acetate
CID 62921537
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
CID 88838366
2-[carboxymethyl-[2-(methoxyamino)-2-oxoethyl]amino]acetic acid;ethane
CID 153337415
CID 160559897
CID 160559897
CID 23617736
CID 23617736
2-[bis(carboxymethyl)amino]acetic acid;cerium
CID 88686592
bis(2-[bis(carboxymethyl)amino]acetic acid);sulfane
CID 87731380

Frequently Asked Questions

What is the IUPAC name of benzene;2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]acetic acid?
The IUPAC name of benzene;2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]acetic acid (CID 158824868) is benzene;2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]acetic acid.
What is the SMILES notation for benzene;2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]acetic acid?
The canonical SMILES for benzene;2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]acetic acid is COC(=O)CN(CC(=O)O)CC(=O)O.c1ccccc1.
What is the InChIKey of benzene;2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]acetic acid?
The InChIKey is IWIFOGKHVVFHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO6.C6H6/c1-14-7(13)4-8(2-5(9)10)3-6(11)12;1-2-4-6-5-3-1/h2-4H2,1H3,(H,9,10)(H,11,12);1-6H.
What are the key properties of benzene;2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]acetic acid?
benzene;2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]acetic acid has a molecular weight of 283.28 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]acetic acid is sourced from PubChem (CID 158824868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).