(2S,4S)-2-amino-4-(2,2-diphenylethyl)pentanedioic acid

C19H21NO4 — CID 10359073

IUPAC(2S,4S)-2-amino-4-(2,2-diphenylethyl)pentanedioic acid
SMILESN[C@@H](C[C@H](CC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O
InChIInChI=1S/C19H21NO4/c20-17(19(23)24)12-15(18(21)22)11-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17H,11-12,20H2,(H,21,22)(H,23,24)/t15-,17-/m0/s1
InChIKeyLSXSDBGWRLZZIR-RDJZCZTQSA-N
MW327.38 g/mol
LogP2.71
Rot. Bonds8

About (2S,4S)-2-amino-4-(2,2-diphenylethyl)pentanedioic acid

(2S,4S)-2-amino-4-(2,2-diphenylethyl)pentanedioic acid (PubChem CID 10359073) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2S,4S)-2-amino-4-(2,2-diphenylethyl)pentanedioic acid.

Molecular Properties

Compound Name(2S,4S)-2-amino-4-(2,2-diphenylethyl)pentanedioic acid
PubChem CID10359073
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(2S,4S)-2-amino-4-(2,2-diphenylethyl)pentanedioic acid
SMILESN[C@@H](C[C@H](CC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O
InChIInChI=1S/C19H21NO4/c20-17(19(23)24)12-15(18(21)22)11-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17H,11-12,20H2,(H,21,22)(H,23,24)/t15-,17-/m0/s1
InChIKeyLSXSDBGWRLZZIR-RDJZCZTQSA-N
XLogP2.71
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-amino-4-(2,2-diphenylethyl)pentanedioic acid?
The IUPAC name of (2S,4S)-2-amino-4-(2,2-diphenylethyl)pentanedioic acid (CID 10359073) is (2S,4S)-2-amino-4-(2,2-diphenylethyl)pentanedioic acid.
What is the SMILES notation for (2S,4S)-2-amino-4-(2,2-diphenylethyl)pentanedioic acid?
The canonical SMILES for (2S,4S)-2-amino-4-(2,2-diphenylethyl)pentanedioic acid is N[C@@H](C[C@H](CC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O.
What is the InChIKey of (2S,4S)-2-amino-4-(2,2-diphenylethyl)pentanedioic acid?
The InChIKey is LSXSDBGWRLZZIR-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H21NO4/c20-17(19(23)24)12-15(18(21)22)11-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17H,11-12,20H2,(H,21,22)(H,23,24)/t15-,17-/m0/s1.
What are the key properties of (2S,4S)-2-amino-4-(2,2-diphenylethyl)pentanedioic acid?
(2S,4S)-2-amino-4-(2,2-diphenylethyl)pentanedioic acid has a molecular weight of 327.38 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-amino-4-(2,2-diphenylethyl)pentanedioic acid is sourced from PubChem (CID 10359073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).