bis(2-aminoacetic acid);2-benzamidoacetic acid

C13H19N3O7 — CID 175296236

IUPACbis(2-aminoacetic acid);2-benzamidoacetic acid
SMILESNCC(=O)O.NCC(=O)O.O=C(O)CNC(=O)c1ccccc1
InChIInChI=1S/C9H9NO3.2C2H5NO2/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;2*3-1-2(4)5/h1-5H,6H2,(H,10,13)(H,11,12);2*1,3H2,(H,4,5)
InChIKeyYBFNYUZXAXCKTJ-UHFFFAOYSA-N
MW329.31 g/mol
LogP-1.44
Rot. Bonds5

About bis(2-aminoacetic acid);2-benzamidoacetic acid

bis(2-aminoacetic acid);2-benzamidoacetic acid (PubChem CID 175296236) has the molecular formula C13H19N3O7 and a molecular weight of 329.31 g/mol. Its IUPAC name is bis(2-aminoacetic acid);2-benzamidoacetic acid.

Molecular Properties

Compound Namebis(2-aminoacetic acid);2-benzamidoacetic acid
PubChem CID175296236
Molecular FormulaC13H19N3O7
Molecular Weight329.31 g/mol
Exact Mass329.12
IUPAC Namebis(2-aminoacetic acid);2-benzamidoacetic acid
SMILESNCC(=O)O.NCC(=O)O.O=C(O)CNC(=O)c1ccccc1
InChIInChI=1S/C9H9NO3.2C2H5NO2/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;2*3-1-2(4)5/h1-5H,6H2,(H,10,13)(H,11,12);2*1,3H2,(H,4,5)
InChIKeyYBFNYUZXAXCKTJ-UHFFFAOYSA-N
XLogP-1.44
TPSA193.04 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.31
LogP ≤ 5-1.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzamidoacetic acid;hydrofluoride
CID 174760685
2-benzamidoacetic acid;prop-2-enamide
CID 175727656
4-(carboxymethylcarbamoyl)benzoic acid
CID 166957862
2-benzamidoacetic acid;2-(2-formylphenyl)acetic acid
CID 86664383
N-[2-(2-aminoethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119384286
bis(2-benzamidoacetic acid);heptanoic acid;hexanoic acid
CID 174051759
N-(2-aminoethyl)benzamide;ethane
CID 143976252
2-(pyridin-1-ium-3-carbonylamino)acetic acid
CID 3613751
2-[[2-(aminomethyl)benzoyl]amino]acetic acid
CID 57129733
sodium;amino 2-benzamidoacetate;hydride
CID 175503094
2-(pyridin-1-ium-3-carbonylamino)acetic acid chloride
CID 44658280
N-ethylbenzamide
CID 160772566

Frequently Asked Questions

What is the IUPAC name of bis(2-aminoacetic acid);2-benzamidoacetic acid?
The IUPAC name of bis(2-aminoacetic acid);2-benzamidoacetic acid (CID 175296236) is bis(2-aminoacetic acid);2-benzamidoacetic acid.
What is the SMILES notation for bis(2-aminoacetic acid);2-benzamidoacetic acid?
The canonical SMILES for bis(2-aminoacetic acid);2-benzamidoacetic acid is NCC(=O)O.NCC(=O)O.O=C(O)CNC(=O)c1ccccc1.
What is the InChIKey of bis(2-aminoacetic acid);2-benzamidoacetic acid?
The InChIKey is YBFNYUZXAXCKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3.2C2H5NO2/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;2*3-1-2(4)5/h1-5H,6H2,(H,10,13)(H,11,12);2*1,3H2,(H,4,5).
What are the key properties of bis(2-aminoacetic acid);2-benzamidoacetic acid?
bis(2-aminoacetic acid);2-benzamidoacetic acid has a molecular weight of 329.31 g/mol, XLogP of -1.44, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminoacetic acid);2-benzamidoacetic acid is sourced from PubChem (CID 175296236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).