(2S)-3-phenylmethoxy-2-[(4-pyridin-3-ylfuran-2-carbonyl)amino]propanoic acid

C20H18N2O5 — CID 70652014

IUPAC(2S)-3-phenylmethoxy-2-[(4-pyridin-3-ylfuran-2-carbonyl)amino]propanoic acid
SMILESO=C(N[C@@H](COCc1ccccc1)C(=O)O)c1cc(-c2cccnc2)co1
InChIInChI=1S/C20H18N2O5/c23-19(18-9-16(12-27-18)15-7-4-8-21-10-15)22-17(20(24)25)13-26-11-14-5-2-1-3-6-14/h1-10,12,17H,11,13H2,(H,22,23)(H,24,25)/t17-/m0/s1
InChIKeyZHERPWPYRSQASN-KRWDZBQOSA-N
MW366.37 g/mol
LogP2.74
Rot. Bonds8

About (2S)-3-phenylmethoxy-2-[(4-pyridin-3-ylfuran-2-carbonyl)amino]propanoic acid

(2S)-3-phenylmethoxy-2-[(4-pyridin-3-ylfuran-2-carbonyl)amino]propanoic acid (PubChem CID 70652014) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is (2S)-3-phenylmethoxy-2-[(4-pyridin-3-ylfuran-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-phenylmethoxy-2-[(4-pyridin-3-ylfuran-2-carbonyl)amino]propanoic acid
PubChem CID70652014
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name(2S)-3-phenylmethoxy-2-[(4-pyridin-3-ylfuran-2-carbonyl)amino]propanoic acid
SMILESO=C(N[C@@H](COCc1ccccc1)C(=O)O)c1cc(-c2cccnc2)co1
InChIInChI=1S/C20H18N2O5/c23-19(18-9-16(12-27-18)15-7-4-8-21-10-15)22-17(20(24)25)13-26-11-14-5-2-1-3-6-14/h1-10,12,17H,11,13H2,(H,22,23)(H,24,25)/t17-/m0/s1
InChIKeyZHERPWPYRSQASN-KRWDZBQOSA-N
XLogP2.74
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenylmethoxy-2-[(4-pyridin-3-ylfuran-2-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-3-phenylmethoxy-2-[(4-pyridin-3-ylfuran-2-carbonyl)amino]propanoic acid (CID 70652014) is (2S)-3-phenylmethoxy-2-[(4-pyridin-3-ylfuran-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-phenylmethoxy-2-[(4-pyridin-3-ylfuran-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-3-phenylmethoxy-2-[(4-pyridin-3-ylfuran-2-carbonyl)amino]propanoic acid is O=C(N[C@@H](COCc1ccccc1)C(=O)O)c1cc(-c2cccnc2)co1.
What is the InChIKey of (2S)-3-phenylmethoxy-2-[(4-pyridin-3-ylfuran-2-carbonyl)amino]propanoic acid?
The InChIKey is ZHERPWPYRSQASN-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18N2O5/c23-19(18-9-16(12-27-18)15-7-4-8-21-10-15)22-17(20(24)25)13-26-11-14-5-2-1-3-6-14/h1-10,12,17H,11,13H2,(H,22,23)(H,24,25)/t17-/m0/s1.
What are the key properties of (2S)-3-phenylmethoxy-2-[(4-pyridin-3-ylfuran-2-carbonyl)amino]propanoic acid?
(2S)-3-phenylmethoxy-2-[(4-pyridin-3-ylfuran-2-carbonyl)amino]propanoic acid has a molecular weight of 366.37 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenylmethoxy-2-[(4-pyridin-3-ylfuran-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 70652014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).