(2R)-2-(3-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]acetic acid

C16H16ClNO2 — CID 134870646

IUPAC(2R)-2-(3-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]acetic acid
SMILESC[C@@H](N[C@@H](C(=O)O)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-11(12-6-3-2-4-7-12)18-15(16(19)20)13-8-5-9-14(17)10-13/h2-11,15,18H,1H3,(H,19,20)/t11-,15-/m1/s1
InChIKeyCWPYQSOVNMMTLL-IAQYHMDHSA-N
MW289.76 g/mol
LogP3.82
Rot. Bonds5

About (2R)-2-(3-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]acetic acid

(2R)-2-(3-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]acetic acid (PubChem CID 134870646) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]acetic acid
PubChem CID134870646
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name(2R)-2-(3-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]acetic acid
SMILESC[C@@H](N[C@@H](C(=O)O)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-11(12-6-3-2-4-7-12)18-15(16(19)20)13-8-5-9-14(17)10-13/h2-11,15,18H,1H3,(H,19,20)/t11-,15-/m1/s1
InChIKeyCWPYQSOVNMMTLL-IAQYHMDHSA-N
XLogP3.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]acetic acid?
The IUPAC name of (2R)-2-(3-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]acetic acid (CID 134870646) is (2R)-2-(3-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]acetic acid.
What is the SMILES notation for (2R)-2-(3-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]acetic acid?
The canonical SMILES for (2R)-2-(3-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]acetic acid is C[C@@H](N[C@@H](C(=O)O)c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of (2R)-2-(3-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]acetic acid?
The InChIKey is CWPYQSOVNMMTLL-IAQYHMDHSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-11(12-6-3-2-4-7-12)18-15(16(19)20)13-8-5-9-14(17)10-13/h2-11,15,18H,1H3,(H,19,20)/t11-,15-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]acetic acid?
(2R)-2-(3-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]acetic acid has a molecular weight of 289.76 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]acetic acid is sourced from PubChem (CID 134870646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).