(2R)-2-(4,4-diphenylbut-3-enylamino)-3-hydroxypropanoic acid

C19H21NO3 — CID 10244952

IUPAC(2R)-2-(4,4-diphenylbut-3-enylamino)-3-hydroxypropanoic acid
SMILESO=C(O)[C@@H](CO)NCCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c21-14-18(19(22)23)20-13-7-12-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-12,18,20-21H,7,13-14H2,(H,22,23)/t18-/m1/s1
InChIKeyCYPLQXQHWNTKSB-GOSISDBHSA-N
MW311.38 g/mol
LogP2.54
Rot. Bonds8

About (2R)-2-(4,4-diphenylbut-3-enylamino)-3-hydroxypropanoic acid

(2R)-2-(4,4-diphenylbut-3-enylamino)-3-hydroxypropanoic acid (PubChem CID 10244952) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2R)-2-(4,4-diphenylbut-3-enylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-(4,4-diphenylbut-3-enylamino)-3-hydroxypropanoic acid
PubChem CID10244952
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(2R)-2-(4,4-diphenylbut-3-enylamino)-3-hydroxypropanoic acid
SMILESO=C(O)[C@@H](CO)NCCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c21-14-18(19(22)23)20-13-7-12-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-12,18,20-21H,7,13-14H2,(H,22,23)/t18-/m1/s1
InChIKeyCYPLQXQHWNTKSB-GOSISDBHSA-N
XLogP2.54
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-hydroxy-2-(2-phenylethylamino)propanoic acid
CID 70101907
(2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid
CID 54359256
methyl 3-(4,4-diphenylbut-3-enylamino)propanoate
CID 71739732
N-methyl-4,4-diphenylbut-3-enamide
CID 10824648
(2R)-2-anilino-3-hydroxypropanoic acid
CID 68662369
(2S)-3-hydroxy-2-(propylamino)propanoic acid
CID 55287062
(4-bromo-1-phenylbut-1-enyl)benzene
CID 10401774
5,5-diphenyl-N-(1-phenylethyl)pent-4-en-1-amine;hydrochloride
CID 67609391
1,1'-biphenyl;3-hydroxy-2-(methylamino)propanoic acid
CID 174733531
4,4-diphenyl-N-(3-phenylpropyl)but-3-en-1-amine
CID 86174000
5-phenyl-5-(4-propan-2-ylphenyl)pent-4-enoic acid
CID 57178273
(2S)-2-(phenacylamino)pentanedioic acid
CID 151542302

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4,4-diphenylbut-3-enylamino)-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-(4,4-diphenylbut-3-enylamino)-3-hydroxypropanoic acid (CID 10244952) is (2R)-2-(4,4-diphenylbut-3-enylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-(4,4-diphenylbut-3-enylamino)-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-(4,4-diphenylbut-3-enylamino)-3-hydroxypropanoic acid is O=C(O)[C@@H](CO)NCCC=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-(4,4-diphenylbut-3-enylamino)-3-hydroxypropanoic acid?
The InChIKey is CYPLQXQHWNTKSB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21NO3/c21-14-18(19(22)23)20-13-7-12-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-12,18,20-21H,7,13-14H2,(H,22,23)/t18-/m1/s1.
What are the key properties of (2R)-2-(4,4-diphenylbut-3-enylamino)-3-hydroxypropanoic acid?
(2R)-2-(4,4-diphenylbut-3-enylamino)-3-hydroxypropanoic acid has a molecular weight of 311.38 g/mol, XLogP of 2.54, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4,4-diphenylbut-3-enylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 10244952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).