2-benzamidoacetic acid;hydrofluoride

C9H10FNO3 — CID 174760685

IUPAC2-benzamidoacetic acid;hydrofluoride
SMILESF.O=C(O)CNC(=O)c1ccccc1
InChIInChI=1S/C9H9NO3.FH/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;/h1-5H,6H2,(H,10,13)(H,11,12);1H
InChIKeySVDCZRNYCGZXFM-UHFFFAOYSA-N
MW199.18 g/mol
LogP0.65
Rot. Bonds3

About 2-benzamidoacetic acid;hydrofluoride

2-benzamidoacetic acid;hydrofluoride (PubChem CID 174760685) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is 2-benzamidoacetic acid;hydrofluoride.

Molecular Properties

Compound Name2-benzamidoacetic acid;hydrofluoride
PubChem CID174760685
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name2-benzamidoacetic acid;hydrofluoride
SMILESF.O=C(O)CNC(=O)c1ccccc1
InChIInChI=1S/C9H9NO3.FH/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;/h1-5H,6H2,(H,10,13)(H,11,12);1H
InChIKeySVDCZRNYCGZXFM-UHFFFAOYSA-N
XLogP0.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bis(2-aminoacetic acid);2-benzamidoacetic acid
CID 175296236
2-benzamidoacetic acid;prop-2-enamide
CID 175727656
4-(carboxymethylcarbamoyl)benzoic acid
CID 166957862
2-benzamidoacetic acid;2-(2-formylphenyl)acetic acid
CID 86664383
bis(2-benzamidoacetic acid);heptanoic acid;hexanoic acid
CID 174051759
2-(pyridin-1-ium-3-carbonylamino)acetic acid
CID 3613751
2-(pyridin-1-ium-3-carbonylamino)acetic acid chloride
CID 44658280
N-ethylbenzamide
CID 160772566
N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-2-oxoethyl]benzamide
CID 9153067
2-[(3-methoxycarbonylbenzoyl)amino]acetic acid
CID 108786639
N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 101335616
2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]acetic acid
CID 3478136

Frequently Asked Questions

What is the IUPAC name of 2-benzamidoacetic acid;hydrofluoride?
The IUPAC name of 2-benzamidoacetic acid;hydrofluoride (CID 174760685) is 2-benzamidoacetic acid;hydrofluoride.
What is the SMILES notation for 2-benzamidoacetic acid;hydrofluoride?
The canonical SMILES for 2-benzamidoacetic acid;hydrofluoride is F.O=C(O)CNC(=O)c1ccccc1.
What is the InChIKey of 2-benzamidoacetic acid;hydrofluoride?
The InChIKey is SVDCZRNYCGZXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3.FH/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;/h1-5H,6H2,(H,10,13)(H,11,12);1H.
What are the key properties of 2-benzamidoacetic acid;hydrofluoride?
2-benzamidoacetic acid;hydrofluoride has a molecular weight of 199.18 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamidoacetic acid;hydrofluoride is sourced from PubChem (CID 174760685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).