(2R)-2-[amino(methyl)amino]-1,2-diphenylethanol;(Z)-but-2-enedioic acid

C19H22N2O5 — CID 161238687

IUPAC(2R)-2-[amino(methyl)amino]-1,2-diphenylethanol;(Z)-but-2-enedioic acid
SMILESCN(N)[C@H](c1ccccc1)C(O)c1ccccc1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C15H18N2O.C4H4O4/c1-17(16)14(12-8-4-2-5-9-12)15(18)13-10-6-3-7-11-13;5-3(6)1-2-4(7)8/h2-11,14-15,18H,16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,15?;/m1./s1
InChIKeyRCRMNKDMXUYVBC-XYVADVQMSA-N
MW358.39 g/mol
LogP1.98
Rot. Bonds6

About (2R)-2-[amino(methyl)amino]-1,2-diphenylethanol;(Z)-but-2-enedioic acid

(2R)-2-[amino(methyl)amino]-1,2-diphenylethanol;(Z)-but-2-enedioic acid (PubChem CID 161238687) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is (2R)-2-[amino(methyl)amino]-1,2-diphenylethanol;(Z)-but-2-enedioic acid.

Molecular Properties

Compound Name(2R)-2-[amino(methyl)amino]-1,2-diphenylethanol;(Z)-but-2-enedioic acid
PubChem CID161238687
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name(2R)-2-[amino(methyl)amino]-1,2-diphenylethanol;(Z)-but-2-enedioic acid
SMILESCN(N)[C@H](c1ccccc1)C(O)c1ccccc1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C15H18N2O.C4H4O4/c1-17(16)14(12-8-4-2-5-9-12)15(18)13-10-6-3-7-11-13;5-3(6)1-2-4(7)8/h2-11,14-15,18H,16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,15?;/m1./s1
InChIKeyRCRMNKDMXUYVBC-XYVADVQMSA-N
XLogP1.98
TPSA124.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-2-[amino(methyl)amino]-1,2-diphenylethanol;(Z)-but-2-enedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S)-2-amino-1-phenylpropan-1-ol;(Z)-but-2-enedioic acid
CID 76960503
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylnitrous amide
CID 52937623
CID 100998329
CID 100998329
(2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide
CID 102048863
2-[2-hydroxyethyl(methyl)amino]-1,2-diphenylethanol
CID 14391199
(2S,3R)-2-amino-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-phenylbutanamide
CID 134544444
(E)-4-[(2R)-2-hydroxy-2-phenylacetyl]oxy-4-oxobut-2-enoic acid
CID 87746936
(2S,3S)-2-amino-3-(furan-2-yl)-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide
CID 134544678
(3R,4R)-N-benzyl-3,4-dihydroxy-N-methyl-4-phenylbutanamide
CID 11087866
(2S)-2-amino-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-(2-methylphenyl)propanamide
CID 102443672
1,2-diphenylethane-1,2-diol
CID 159073808
1,1-diaminourea;1-phenylethylbenzene
CID 174865335

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[amino(methyl)amino]-1,2-diphenylethanol;(Z)-but-2-enedioic acid?
The IUPAC name of (2R)-2-[amino(methyl)amino]-1,2-diphenylethanol;(Z)-but-2-enedioic acid (CID 161238687) is (2R)-2-[amino(methyl)amino]-1,2-diphenylethanol;(Z)-but-2-enedioic acid.
What is the SMILES notation for (2R)-2-[amino(methyl)amino]-1,2-diphenylethanol;(Z)-but-2-enedioic acid?
The canonical SMILES for (2R)-2-[amino(methyl)amino]-1,2-diphenylethanol;(Z)-but-2-enedioic acid is CN(N)[C@H](c1ccccc1)C(O)c1ccccc1.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (2R)-2-[amino(methyl)amino]-1,2-diphenylethanol;(Z)-but-2-enedioic acid?
The InChIKey is RCRMNKDMXUYVBC-XYVADVQMSA-N. The full InChI is InChI=1S/C15H18N2O.C4H4O4/c1-17(16)14(12-8-4-2-5-9-12)15(18)13-10-6-3-7-11-13;5-3(6)1-2-4(7)8/h2-11,14-15,18H,16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,15?;/m1./s1.
What are the key properties of (2R)-2-[amino(methyl)amino]-1,2-diphenylethanol;(Z)-but-2-enedioic acid?
(2R)-2-[amino(methyl)amino]-1,2-diphenylethanol;(Z)-but-2-enedioic acid has a molecular weight of 358.39 g/mol, XLogP of 1.98, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[amino(methyl)amino]-1,2-diphenylethanol;(Z)-but-2-enedioic acid is sourced from PubChem (CID 161238687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).