2-[hydroxy-[(4-phenoxyphenyl)methyl]amino]-2-iminoacetic acid

C15H14N2O4 — CID 58593221

IUPAC2-[hydroxy-[(4-phenoxyphenyl)methyl]amino]-2-iminoacetic acid
SMILES[H]/N=C(\C(=O)O)N(O)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H14N2O4/c16-14(15(18)19)17(20)10-11-6-8-13(9-7-11)21-12-4-2-1-3-5-12/h1-9,16,20H,10H2,(H,18,19)/b16-14+
InChIKeyVKZCSYGGGMVRFB-JQIJEIRASA-N
MW286.29 g/mol
LogP2.73
Rot. Bonds4

About 2-[hydroxy-[(4-phenoxyphenyl)methyl]amino]-2-iminoacetic acid

2-[hydroxy-[(4-phenoxyphenyl)methyl]amino]-2-iminoacetic acid (PubChem CID 58593221) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[hydroxy-[(4-phenoxyphenyl)methyl]amino]-2-iminoacetic acid.

Molecular Properties

Compound Name2-[hydroxy-[(4-phenoxyphenyl)methyl]amino]-2-iminoacetic acid
PubChem CID58593221
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-[hydroxy-[(4-phenoxyphenyl)methyl]amino]-2-iminoacetic acid
SMILES[H]/N=C(\C(=O)O)N(O)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H14N2O4/c16-14(15(18)19)17(20)10-11-6-8-13(9-7-11)21-12-4-2-1-3-5-12/h1-9,16,20H,10H2,(H,18,19)/b16-14+
InChIKeyVKZCSYGGGMVRFB-JQIJEIRASA-N
XLogP2.73
TPSA93.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-hydroxy-N-methyl-N-[(4-phenoxyphenyl)methyl]propanamide
CID 70764862
(1S,2S,3S,4S)-3,4-bis[(4-phenoxyphenyl)methyl-propan-2-ylcarbamoyl]cyclobutane-1,2-dicarboxylic acid
CID 10508723
N-methyl-N-[(4-phenoxyphenyl)methyl]-1-phenylmethanamine
CID 54074832
3,4-bis[[(2S)-butan-2-yl]-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid
CID 67770557
4-methyl-5-(4-phenoxyphenyl)pentan-2-one
CID 83938966
3,4-bis[cyclopentyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid
CID 19069170
2-(4-phenoxyphenyl)ethane-1,1-diol
CID 20703819
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one
CID 59660716
N-benzyl-N-[(4-phenoxyphenyl)methyl]methanesulfonamide
CID 57267401
3-[benzyl-[(4-phenoxyphenyl)methyl]carbamoyl]-4-methoxycarbonylcyclobutane-1,2-dicarboxylic acid
CID 18942930
(2S)-2-(diethylamino)-3-(4-phenoxyphenyl)propanoic acid
CID 100553369
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one;hydrochloride
CID 159787435

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-[(4-phenoxyphenyl)methyl]amino]-2-iminoacetic acid?
The IUPAC name of 2-[hydroxy-[(4-phenoxyphenyl)methyl]amino]-2-iminoacetic acid (CID 58593221) is 2-[hydroxy-[(4-phenoxyphenyl)methyl]amino]-2-iminoacetic acid.
What is the SMILES notation for 2-[hydroxy-[(4-phenoxyphenyl)methyl]amino]-2-iminoacetic acid?
The canonical SMILES for 2-[hydroxy-[(4-phenoxyphenyl)methyl]amino]-2-iminoacetic acid is [H]/N=C(\C(=O)O)N(O)Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[hydroxy-[(4-phenoxyphenyl)methyl]amino]-2-iminoacetic acid?
The InChIKey is VKZCSYGGGMVRFB-JQIJEIRASA-N. The full InChI is InChI=1S/C15H14N2O4/c16-14(15(18)19)17(20)10-11-6-8-13(9-7-11)21-12-4-2-1-3-5-12/h1-9,16,20H,10H2,(H,18,19)/b16-14+.
What are the key properties of 2-[hydroxy-[(4-phenoxyphenyl)methyl]amino]-2-iminoacetic acid?
2-[hydroxy-[(4-phenoxyphenyl)methyl]amino]-2-iminoacetic acid has a molecular weight of 286.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-[(4-phenoxyphenyl)methyl]amino]-2-iminoacetic acid is sourced from PubChem (CID 58593221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).