(2S,3S)-2-amino-3-(4-chlorophenyl)-3-(6-propan-2-yloxy-3-pyridinyl)propanoic acid

C17H19ClN2O3 — CID 126685284

IUPAC(2S,3S)-2-amino-3-(4-chlorophenyl)-3-(6-propan-2-yloxy-3-pyridinyl)propanoic acid
SMILESCC(C)Oc1ccc([C@H](c2ccc(Cl)cc2)[C@H](N)C(=O)O)cn1
InChIInChI=1S/C17H19ClN2O3/c1-10(2)23-14-8-5-12(9-20-14)15(16(19)17(21)22)11-3-6-13(18)7-4-11/h3-10,15-16H,19H2,1-2H3,(H,21,22)/t15-,16-/m0/s1
InChIKeyLFLZQHBKWDPSDQ-HOTGVXAUSA-N
MW334.80 g/mol
LogP3.07
Rot. Bonds6

About (2S,3S)-2-amino-3-(4-chlorophenyl)-3-(6-propan-2-yloxy-3-pyridinyl)propanoic acid

(2S,3S)-2-amino-3-(4-chlorophenyl)-3-(6-propan-2-yloxy-3-pyridinyl)propanoic acid (PubChem CID 126685284) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-(4-chlorophenyl)-3-(6-propan-2-yloxy-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-(4-chlorophenyl)-3-(6-propan-2-yloxy-3-pyridinyl)propanoic acid
PubChem CID126685284
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name(2S,3S)-2-amino-3-(4-chlorophenyl)-3-(6-propan-2-yloxy-3-pyridinyl)propanoic acid
SMILESCC(C)Oc1ccc([C@H](c2ccc(Cl)cc2)[C@H](N)C(=O)O)cn1
InChIInChI=1S/C17H19ClN2O3/c1-10(2)23-14-8-5-12(9-20-14)15(16(19)17(21)22)11-3-6-13(18)7-4-11/h3-10,15-16H,19H2,1-2H3,(H,21,22)/t15-,16-/m0/s1
InChIKeyLFLZQHBKWDPSDQ-HOTGVXAUSA-N
XLogP3.07
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-(4-chlorophenyl)-3-(6-propan-2-yloxy-3-pyridinyl)propanoic acid?
The IUPAC name of (2S,3S)-2-amino-3-(4-chlorophenyl)-3-(6-propan-2-yloxy-3-pyridinyl)propanoic acid (CID 126685284) is (2S,3S)-2-amino-3-(4-chlorophenyl)-3-(6-propan-2-yloxy-3-pyridinyl)propanoic acid.
What is the SMILES notation for (2S,3S)-2-amino-3-(4-chlorophenyl)-3-(6-propan-2-yloxy-3-pyridinyl)propanoic acid?
The canonical SMILES for (2S,3S)-2-amino-3-(4-chlorophenyl)-3-(6-propan-2-yloxy-3-pyridinyl)propanoic acid is CC(C)Oc1ccc([C@H](c2ccc(Cl)cc2)[C@H](N)C(=O)O)cn1.
What is the InChIKey of (2S,3S)-2-amino-3-(4-chlorophenyl)-3-(6-propan-2-yloxy-3-pyridinyl)propanoic acid?
The InChIKey is LFLZQHBKWDPSDQ-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-10(2)23-14-8-5-12(9-20-14)15(16(19)17(21)22)11-3-6-13(18)7-4-11/h3-10,15-16H,19H2,1-2H3,(H,21,22)/t15-,16-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-(4-chlorophenyl)-3-(6-propan-2-yloxy-3-pyridinyl)propanoic acid?
(2S,3S)-2-amino-3-(4-chlorophenyl)-3-(6-propan-2-yloxy-3-pyridinyl)propanoic acid has a molecular weight of 334.80 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-(4-chlorophenyl)-3-(6-propan-2-yloxy-3-pyridinyl)propanoic acid is sourced from PubChem (CID 126685284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).