2-[[2-[bis(carboxymethyl)amino]-2-phenylethyl]-(carboxymethyl)amino]acetic acid

C16H20N2O8 — CID 14550244

IUPAC2-[[2-[bis(carboxymethyl)amino]-2-phenylethyl]-(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC(c1ccccc1)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C16H20N2O8/c19-13(20)7-17(8-14(21)22)6-12(11-4-2-1-3-5-11)18(9-15(23)24)10-16(25)26/h1-5,12H,6-10H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKeyVAENCWBQUNKRKC-UHFFFAOYSA-N
MW368.34 g/mol
LogP-0.33
Rot. Bonds12

About 2-[[2-[bis(carboxymethyl)amino]-2-phenylethyl]-(carboxymethyl)amino]acetic acid

2-[[2-[bis(carboxymethyl)amino]-2-phenylethyl]-(carboxymethyl)amino]acetic acid (PubChem CID 14550244) has the molecular formula C16H20N2O8 and a molecular weight of 368.34 g/mol. Its IUPAC name is 2-[[2-[bis(carboxymethyl)amino]-2-phenylethyl]-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[bis(carboxymethyl)amino]-2-phenylethyl]-(carboxymethyl)amino]acetic acid
PubChem CID14550244
Molecular FormulaC16H20N2O8
Molecular Weight368.34 g/mol
Exact Mass368.12
IUPAC Name2-[[2-[bis(carboxymethyl)amino]-2-phenylethyl]-(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC(c1ccccc1)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C16H20N2O8/c19-13(20)7-17(8-14(21)22)6-12(11-4-2-1-3-5-11)18(9-15(23)24)10-16(25)26/h1-5,12H,6-10H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKeyVAENCWBQUNKRKC-UHFFFAOYSA-N
XLogP-0.33
TPSA155.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-[bis(carboxymethyl)amino]-3-phenylpropanoic acid
CID 7375300
2-[[(2S)-2-[bis(carboxymethyl)amino]-2-(4-nitrophenyl)ethyl]-(carboxymethyl)amino]acetic acid
CID 129388625
2-[[2-(4-aminophenyl)-2-[bis(carboxymethyl)amino]ethyl]-(carboxymethyl)amino]acetic acid;2-[[2-[bis(carboxymethyl)amino]-2-(4-nitrophenyl)ethyl]-(carboxymethyl)amino]acetic acid
CID 67786426
2-[ethyl-(3-methyl-1-phenylbutyl)amino]acetic acid
CID 65063538
2-[[2-[bis(carboxymethyl)amino]-2-(4-isothiocyanatophenyl)ethyl]-[2-[bis(formyloxymethyl)amino]ethyl]amino]acetic acid
CID 58113772
(1R)-N,N,N',N'-tetrabenzyl-1-phenylethane-1,2-diamine
CID 30741988
2-[bis[2-(benzhydrylamino)-2-oxoethyl]amino]acetic acid
CID 121447722
2-[[(1R)-2-hydroxy-1-phenylethyl]-undecylamino]acetic acid
CID 101244047
2-[carboxymethyl-[1-(4-chlorophenyl)propyl]amino]acetic acid
CID 65065919
2-[cyclopropylmethyl-(2-methoxy-1-phenylethyl)amino]acetic acid
CID 103466165
3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid
CID 63067218
2-[[(2S)-1-[benzyl-[(2S)-2-[bis(carboxymethyl)amino]-3-hydroxypropyl]amino]-3-hydroxypropan-2-yl]-(carboxymethyl)amino]acetic acid
CID 101488655

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[bis(carboxymethyl)amino]-2-phenylethyl]-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[[2-[bis(carboxymethyl)amino]-2-phenylethyl]-(carboxymethyl)amino]acetic acid (CID 14550244) is 2-[[2-[bis(carboxymethyl)amino]-2-phenylethyl]-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-[bis(carboxymethyl)amino]-2-phenylethyl]-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-[bis(carboxymethyl)amino]-2-phenylethyl]-(carboxymethyl)amino]acetic acid is O=C(O)CN(CC(=O)O)CC(c1ccccc1)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[[2-[bis(carboxymethyl)amino]-2-phenylethyl]-(carboxymethyl)amino]acetic acid?
The InChIKey is VAENCWBQUNKRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O8/c19-13(20)7-17(8-14(21)22)6-12(11-4-2-1-3-5-11)18(9-15(23)24)10-16(25)26/h1-5,12H,6-10H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26).
What are the key properties of 2-[[2-[bis(carboxymethyl)amino]-2-phenylethyl]-(carboxymethyl)amino]acetic acid?
2-[[2-[bis(carboxymethyl)amino]-2-phenylethyl]-(carboxymethyl)amino]acetic acid has a molecular weight of 368.34 g/mol, XLogP of -0.33, 12 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]-2-phenylethyl]-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 14550244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).