(2R)-2-amino-3-[(3-carbamoylphenyl)-diphenylmethyl]sulfanylpropanoic acid

C23H22N2O3S — CID 57326784

IUPAC(2R)-2-amino-3-[(3-carbamoylphenyl)-diphenylmethyl]sulfanylpropanoic acid
SMILESNC(=O)c1cccc(C(SC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H22N2O3S/c24-20(22(27)28)15-29-23(17-9-3-1-4-10-17,18-11-5-2-6-12-18)19-13-7-8-16(14-19)21(25)26/h1-14,20H,15,24H2,(H2,25,26)(H,27,28)/t20-/m0/s1
InChIKeyJXTXYIAMAXYDPQ-FQEVSTJZSA-N
MW406.51 g/mol
LogP3.22
Rot. Bonds8

About (2R)-2-amino-3-[(3-carbamoylphenyl)-diphenylmethyl]sulfanylpropanoic acid

(2R)-2-amino-3-[(3-carbamoylphenyl)-diphenylmethyl]sulfanylpropanoic acid (PubChem CID 57326784) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is (2R)-2-amino-3-[(3-carbamoylphenyl)-diphenylmethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[(3-carbamoylphenyl)-diphenylmethyl]sulfanylpropanoic acid
PubChem CID57326784
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name(2R)-2-amino-3-[(3-carbamoylphenyl)-diphenylmethyl]sulfanylpropanoic acid
SMILESNC(=O)c1cccc(C(SC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H22N2O3S/c24-20(22(27)28)15-29-23(17-9-3-1-4-10-17,18-11-5-2-6-12-18)19-13-7-8-16(14-19)21(25)26/h1-14,20H,15,24H2,(H2,25,26)(H,27,28)/t20-/m0/s1
InChIKeyJXTXYIAMAXYDPQ-FQEVSTJZSA-N
XLogP3.22
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[(3-carbamoylphenyl)-diphenylmethyl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[(3-carbamoylphenyl)-diphenylmethyl]sulfanylpropanoic acid (CID 57326784) is (2R)-2-amino-3-[(3-carbamoylphenyl)-diphenylmethyl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[(3-carbamoylphenyl)-diphenylmethyl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[(3-carbamoylphenyl)-diphenylmethyl]sulfanylpropanoic acid is NC(=O)c1cccc(C(SC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (2R)-2-amino-3-[(3-carbamoylphenyl)-diphenylmethyl]sulfanylpropanoic acid?
The InChIKey is JXTXYIAMAXYDPQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H22N2O3S/c24-20(22(27)28)15-29-23(17-9-3-1-4-10-17,18-11-5-2-6-12-18)19-13-7-8-16(14-19)21(25)26/h1-14,20H,15,24H2,(H2,25,26)(H,27,28)/t20-/m0/s1.
What are the key properties of (2R)-2-amino-3-[(3-carbamoylphenyl)-diphenylmethyl]sulfanylpropanoic acid?
(2R)-2-amino-3-[(3-carbamoylphenyl)-diphenylmethyl]sulfanylpropanoic acid has a molecular weight of 406.51 g/mol, XLogP of 3.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[(3-carbamoylphenyl)-diphenylmethyl]sulfanylpropanoic acid is sourced from PubChem (CID 57326784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).