2-[[2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetyl]amino]acetic acid

C12H16N2O5 — CID 82364245

IUPAC2-[[2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetyl]amino]acetic acid
SMILESCOc1cc(CNCC(=O)NCC(=O)O)ccc1O
InChIInChI=1S/C12H16N2O5/c1-19-10-4-8(2-3-9(10)15)5-13-6-11(16)14-7-12(17)18/h2-4,13,15H,5-7H2,1H3,(H,14,16)(H,17,18)
InChIKeyYDSINKPSKSRXHS-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.31
Rot. Bonds7

About 2-[[2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetyl]amino]acetic acid

2-[[2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetyl]amino]acetic acid (PubChem CID 82364245) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[[2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetyl]amino]acetic acid
PubChem CID82364245
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-[[2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetyl]amino]acetic acid
SMILESCOc1cc(CNCC(=O)NCC(=O)O)ccc1O
InChIInChI=1S/C12H16N2O5/c1-19-10-4-8(2-3-9(10)15)5-13-6-11(16)14-7-12(17)18/h2-4,13,15H,5-7H2,1H3,(H,14,16)(H,17,18)
InChIKeyYDSINKPSKSRXHS-UHFFFAOYSA-N
XLogP-0.31
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide
CID 43329464
N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 10063540
2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide
CID 43398915
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
4-[(4-hydroxy-3-methoxyphenyl)methylamino]butanamide
CID 60865183
2-[(3,4-dihydroxyphenyl)methylamino]acetic acid
CID 43135200
2-[3-[(4-hydroxy-3-methoxyphenyl)methylcarbamoyl]anilino]acetic acid
CID 46999868
4-[[(4-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 60735101
2-[(4-cyano-3-methoxyphenyl)methylamino]-N-ethylacetamide
CID 106787110
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996749
2-methoxy-4-[(2-methylsulfinylethylamino)methyl]phenol
CID 115978630
2-methoxy-4-[(2-methylsulfonylethylamino)methyl]phenol
CID 54932020

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetyl]amino]acetic acid (CID 82364245) is 2-[[2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetyl]amino]acetic acid is COc1cc(CNCC(=O)NCC(=O)O)ccc1O.
What is the InChIKey of 2-[[2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetyl]amino]acetic acid?
The InChIKey is YDSINKPSKSRXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-19-10-4-8(2-3-9(10)15)5-13-6-11(16)14-7-12(17)18/h2-4,13,15H,5-7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[[2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetyl]amino]acetic acid?
2-[[2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetyl]amino]acetic acid has a molecular weight of 268.27 g/mol, XLogP of -0.31, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 82364245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).