(2S)-2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]propanoic acid

C19H18N4O4 — CID 162731672

IUPAC(2S)-2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]propanoic acid
SMILESCc1c(-c2cnn(-c3ccccc3)c2)cnc(C(=O)N[C@@H](C)C(=O)O)c1O
InChIInChI=1S/C19H18N4O4/c1-11-15(13-8-21-23(10-13)14-6-4-3-5-7-14)9-20-16(17(11)24)18(25)22-12(2)19(26)27/h3-10,12,24H,1-2H3,(H,22,25)(H,26,27)/t12-/m0/s1
InChIKeyREMUREJFNJSHSC-LBPRGKRZSA-N
MW366.38 g/mol
LogP2.15
Rot. Bonds5

About (2S)-2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]propanoic acid

(2S)-2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]propanoic acid (PubChem CID 162731672) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is (2S)-2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]propanoic acid
PubChem CID162731672
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name(2S)-2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]propanoic acid
SMILESCc1c(-c2cnn(-c3ccccc3)c2)cnc(C(=O)N[C@@H](C)C(=O)O)c1O
InChIInChI=1S/C19H18N4O4/c1-11-15(13-8-21-23(10-13)14-6-4-3-5-7-14)9-20-16(17(11)24)18(25)22-12(2)19(26)27/h3-10,12,24H,1-2H3,(H,22,25)(H,26,27)/t12-/m0/s1
InChIKeyREMUREJFNJSHSC-LBPRGKRZSA-N
XLogP2.15
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]propanoic acid (CID 162731672) is (2S)-2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]propanoic acid is Cc1c(-c2cnn(-c3ccccc3)c2)cnc(C(=O)N[C@@H](C)C(=O)O)c1O.
What is the InChIKey of (2S)-2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]propanoic acid?
The InChIKey is REMUREJFNJSHSC-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-11-15(13-8-21-23(10-13)14-6-4-3-5-7-14)9-20-16(17(11)24)18(25)22-12(2)19(26)27/h3-10,12,24H,1-2H3,(H,22,25)(H,26,27)/t12-/m0/s1.
What are the key properties of (2S)-2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]propanoic acid?
(2S)-2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]propanoic acid has a molecular weight of 366.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 162731672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).