(2S)-2-(naphthalen-2-ylmethyl)-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid

C19H19N3O3 — CID 97324639

IUPAC(2S)-2-(naphthalen-2-ylmethyl)-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid
SMILESO=C(Cn1cccn1)NC[C@H](Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C19H19N3O3/c23-18(13-22-9-3-8-21-22)20-12-17(19(24)25)11-14-6-7-15-4-1-2-5-16(15)10-14/h1-10,17H,11-13H2,(H,20,23)(H,24,25)/t17-/m0/s1
InChIKeyXNNMYPJTEHVRQQ-KRWDZBQOSA-N
MW337.38 g/mol
LogP2.10
Rot. Bonds7

About (2S)-2-(naphthalen-2-ylmethyl)-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid

(2S)-2-(naphthalen-2-ylmethyl)-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid (PubChem CID 97324639) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2S)-2-(naphthalen-2-ylmethyl)-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-(naphthalen-2-ylmethyl)-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid
PubChem CID97324639
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(2S)-2-(naphthalen-2-ylmethyl)-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid
SMILESO=C(Cn1cccn1)NC[C@H](Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C19H19N3O3/c23-18(13-22-9-3-8-21-22)20-12-17(19(24)25)11-14-6-7-15-4-1-2-5-16(15)10-14/h1-10,17H,11-13H2,(H,20,23)(H,24,25)/t17-/m0/s1
InChIKeyXNNMYPJTEHVRQQ-KRWDZBQOSA-N
XLogP2.10
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(naphthalen-2-ylmethyl)-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid?
The IUPAC name of (2S)-2-(naphthalen-2-ylmethyl)-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid (CID 97324639) is (2S)-2-(naphthalen-2-ylmethyl)-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-(naphthalen-2-ylmethyl)-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-(naphthalen-2-ylmethyl)-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid is O=C(Cn1cccn1)NC[C@H](Cc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of (2S)-2-(naphthalen-2-ylmethyl)-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid?
The InChIKey is XNNMYPJTEHVRQQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-18(13-22-9-3-8-21-22)20-12-17(19(24)25)11-14-6-7-15-4-1-2-5-16(15)10-14/h1-10,17H,11-13H2,(H,20,23)(H,24,25)/t17-/m0/s1.
What are the key properties of (2S)-2-(naphthalen-2-ylmethyl)-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid?
(2S)-2-(naphthalen-2-ylmethyl)-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid has a molecular weight of 337.38 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(naphthalen-2-ylmethyl)-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 97324639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).