(2S)-2-amino-2-(3,5-dichloro-4-morpholin-4-ylphenyl)acetic acid

C12H14Cl2N2O3 — CID 66513268

IUPAC(2S)-2-amino-2-(3,5-dichloro-4-morpholin-4-ylphenyl)acetic acid
SMILESN[C@H](C(=O)O)c1cc(Cl)c(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O3/c13-8-5-7(10(15)12(17)18)6-9(14)11(8)16-1-3-19-4-2-16/h5-6,10H,1-4,15H2,(H,17,18)/t10-/m0/s1
InChIKeyPLXNBKLQBIMMGI-JTQLQIEISA-N
MW305.16 g/mol
LogP1.91
Rot. Bonds3

About (2S)-2-amino-2-(3,5-dichloro-4-morpholin-4-ylphenyl)acetic acid

(2S)-2-amino-2-(3,5-dichloro-4-morpholin-4-ylphenyl)acetic acid (PubChem CID 66513268) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is (2S)-2-amino-2-(3,5-dichloro-4-morpholin-4-ylphenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(3,5-dichloro-4-morpholin-4-ylphenyl)acetic acid
PubChem CID66513268
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC Name(2S)-2-amino-2-(3,5-dichloro-4-morpholin-4-ylphenyl)acetic acid
SMILESN[C@H](C(=O)O)c1cc(Cl)c(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O3/c13-8-5-7(10(15)12(17)18)6-9(14)11(8)16-1-3-19-4-2-16/h5-6,10H,1-4,15H2,(H,17,18)/t10-/m0/s1
InChIKeyPLXNBKLQBIMMGI-JTQLQIEISA-N
XLogP1.91
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3,5-dichloro-4-morpholin-4-ylphenyl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(3,5-dichloro-4-morpholin-4-ylphenyl)acetic acid (CID 66513268) is (2S)-2-amino-2-(3,5-dichloro-4-morpholin-4-ylphenyl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(3,5-dichloro-4-morpholin-4-ylphenyl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(3,5-dichloro-4-morpholin-4-ylphenyl)acetic acid is N[C@H](C(=O)O)c1cc(Cl)c(N2CCOCC2)c(Cl)c1.
What is the InChIKey of (2S)-2-amino-2-(3,5-dichloro-4-morpholin-4-ylphenyl)acetic acid?
The InChIKey is PLXNBKLQBIMMGI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c13-8-5-7(10(15)12(17)18)6-9(14)11(8)16-1-3-19-4-2-16/h5-6,10H,1-4,15H2,(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-2-(3,5-dichloro-4-morpholin-4-ylphenyl)acetic acid?
(2S)-2-amino-2-(3,5-dichloro-4-morpholin-4-ylphenyl)acetic acid has a molecular weight of 305.16 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3,5-dichloro-4-morpholin-4-ylphenyl)acetic acid is sourced from PubChem (CID 66513268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).