2-[carboxymethyl-[2-(ethoxycarbonylamino)ethyl]amino]acetic acid

C9H16N2O6 — CID 23422765

IUPAC2-[carboxymethyl-[2-(ethoxycarbonylamino)ethyl]amino]acetic acid
SMILESCCOC(=O)NCCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C9H16N2O6/c1-2-17-9(16)10-3-4-11(5-7(12)13)6-8(14)15/h2-6H2,1H3,(H,10,16)(H,12,13)(H,14,15)
InChIKeySQEGEMGTAXFUFW-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.80
Rot. Bonds8

About 2-[carboxymethyl-[2-(ethoxycarbonylamino)ethyl]amino]acetic acid

2-[carboxymethyl-[2-(ethoxycarbonylamino)ethyl]amino]acetic acid (PubChem CID 23422765) has the molecular formula C9H16N2O6 and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-(ethoxycarbonylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-(ethoxycarbonylamino)ethyl]amino]acetic acid
PubChem CID23422765
Molecular FormulaC9H16N2O6
Molecular Weight248.23 g/mol
Exact Mass248.10
IUPAC Name2-[carboxymethyl-[2-(ethoxycarbonylamino)ethyl]amino]acetic acid
SMILESCCOC(=O)NCCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C9H16N2O6/c1-2-17-9(16)10-3-4-11(5-7(12)13)6-8(14)15/h2-6H2,1H3,(H,10,16)(H,12,13)(H,14,15)
InChIKeySQEGEMGTAXFUFW-UHFFFAOYSA-N
XLogP-0.80
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-propylcarbamate
CID 12199
2-[2-acetamidoethyl(carboxymethyl)amino]acetic acid;formic acid
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CID 141486592
ethyl N-[2-(methylamino)ethyl]carbamate
CID 20763174
2-(ethoxycarbonylamino)acetic acid;propane
CID 145279324
2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[(2-ethoxy-2-oxoethyl)-ethylamino]ethyl]amino]acetic acid
CID 156509209
ethyl N-[2-[methylsulfonyl(pentyl)amino]ethyl]carbamate
CID 113068338
ethyl N-(6-bromohexyl)carbamate
CID 87279639
ethane;ethyl N-(2-propoxyethyl)carbamate
CID 167457488
2-[2-(ethoxycarbonylamino)ethylsulfinyl]acetic acid
CID 18915902
ethyl N-[2-(ethoxycarbonylamino)ethoxy]carbamate
CID 71777323
ethane;ethyl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 156869233

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-(ethoxycarbonylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-(ethoxycarbonylamino)ethyl]amino]acetic acid (CID 23422765) is 2-[carboxymethyl-[2-(ethoxycarbonylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-(ethoxycarbonylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-(ethoxycarbonylamino)ethyl]amino]acetic acid is CCOC(=O)NCCN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[2-(ethoxycarbonylamino)ethyl]amino]acetic acid?
The InChIKey is SQEGEMGTAXFUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O6/c1-2-17-9(16)10-3-4-11(5-7(12)13)6-8(14)15/h2-6H2,1H3,(H,10,16)(H,12,13)(H,14,15).
What are the key properties of 2-[carboxymethyl-[2-(ethoxycarbonylamino)ethyl]amino]acetic acid?
2-[carboxymethyl-[2-(ethoxycarbonylamino)ethyl]amino]acetic acid has a molecular weight of 248.23 g/mol, XLogP of -0.80, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-(ethoxycarbonylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 23422765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).