2-[1-[(3-hydroxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid

C13H16N2O4 — CID 65071352

IUPAC2-[1-[(3-hydroxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)NCCN1Cc1cccc(O)c1
InChIInChI=1S/C13H16N2O4/c16-10-3-1-2-9(6-10)8-15-5-4-14-13(19)11(15)7-12(17)18/h1-3,6,11,16H,4-5,7-8H2,(H,14,19)(H,17,18)
InChIKeyQUFVDSKBCYBIBJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.17
Rot. Bonds4

About 2-[1-[(3-hydroxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid

2-[1-[(3-hydroxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid (PubChem CID 65071352) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[1-[(3-hydroxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-hydroxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
PubChem CID65071352
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[1-[(3-hydroxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)NCCN1Cc1cccc(O)c1
InChIInChI=1S/C13H16N2O4/c16-10-3-1-2-9(6-10)8-15-5-4-14-13(19)11(15)7-12(17)18/h1-3,6,11,16H,4-5,7-8H2,(H,14,19)(H,17,18)
InChIKeyQUFVDSKBCYBIBJ-UHFFFAOYSA-N
XLogP0.17
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[3-(difluoromethyl)phenyl]methyl]-3-oxopiperazin-2-yl]acetic acid
CID 115529673
2-[1-[(2,4-dihydroxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 65071302
2-[1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-oxopiperazin-2-yl]acetic acid
CID 54848549
2-[1-[[4-(difluoromethyl)phenyl]methyl]-3-oxopiperazin-2-yl]acetic acid
CID 115525652
2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetic acid
CID 3519215
2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 952252
ethyl 2-[1-[(3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 2996935
methyl 2-[(2R)-1-[(3-chlorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 29231928
3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429
3-[2-(azocan-1-yl)-2-oxoethyl]-4-[(3-fluorophenyl)methyl]piperazin-2-one
CID 45243475
2-[1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-3-oxopiperazin-2-yl]acetic acid
CID 54848345
2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95727898

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-hydroxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(3-hydroxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid (CID 65071352) is 2-[1-[(3-hydroxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3-hydroxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(3-hydroxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid is O=C(O)CC1C(=O)NCCN1Cc1cccc(O)c1.
What is the InChIKey of 2-[1-[(3-hydroxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is QUFVDSKBCYBIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-10-3-1-2-9(6-10)8-15-5-4-14-13(19)11(15)7-12(17)18/h1-3,6,11,16H,4-5,7-8H2,(H,14,19)(H,17,18).
What are the key properties of 2-[1-[(3-hydroxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid?
2-[1-[(3-hydroxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-hydroxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 65071352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).