2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane

C16H22N2O8 — CID 90830010

IUPAC2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane
SMILESCC.O=C(O)CN(CC(=O)O)c1ccccc1N(CC(=O)O)CC(=O)O
InChIInChI=1S/C14H16N2O8.C2H6/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24;1-2/h1-4H,5-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);1-2H3
InChIKeyTVRQWKRHVMFPGF-UHFFFAOYSA-N
MW370.36 g/mol
LogP0.66
Rot. Bonds10

About 2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane

2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane (PubChem CID 90830010) has the molecular formula C16H22N2O8 and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane.

Molecular Properties

Compound Name2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane
PubChem CID90830010
Molecular FormulaC16H22N2O8
Molecular Weight370.36 g/mol
Exact Mass370.14
IUPAC Name2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane
SMILESCC.O=C(O)CN(CC(=O)O)c1ccccc1N(CC(=O)O)CC(=O)O
InChIInChI=1S/C14H16N2O8.C2H6/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24;1-2/h1-4H,5-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);1-2H3
InChIKeyTVRQWKRHVMFPGF-UHFFFAOYSA-N
XLogP0.66
TPSA155.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[N-(carboxymethyl)-2-sulfanylanilino]acetic acid
CID 23422801
2-[N-(carboxymethyl)-3-chloro-2-methylanilino]acetic acid
CID 58135098
CID 131879696
CID 131879696
2-[2-[bis(2-fluoro-2-oxoethyl)amino]-N-(2-fluoro-2-oxoethyl)anilino]acetyl fluoride
CID 156579956
methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate
CID 70130679
2-[2-hydroxy-N-(2-methylpropyl)anilino]acetic acid
CID 138423714
2-(2-methyl-N-propylanilino)acetic acid
CID 83559835
2-(N-ethyl-2-phenoxyanilino)acetic acid
CID 100522605
6-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]-3-[2-[bis(carboxymethyl)amino]phenyl]hexanoic acid
CID 59939825
2-(2-amino-N-[2-(butan-2-ylamino)-2-oxoethyl]anilino)acetic acid
CID 63118776
2-(2-cyano-N-propylanilino)acetic acid
CID 61009108
2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid
CID 63118751

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane?
The IUPAC name of 2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane (CID 90830010) is 2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane.
What is the SMILES notation for 2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane?
The canonical SMILES for 2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane is CC.O=C(O)CN(CC(=O)O)c1ccccc1N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane?
The InChIKey is TVRQWKRHVMFPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O8.C2H6/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24;1-2/h1-4H,5-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);1-2H3.
What are the key properties of 2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane?
2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane has a molecular weight of 370.36 g/mol, XLogP of 0.66, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane is sourced from PubChem (CID 90830010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).