(2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5-morpholin-4-yl-5-oxopentanoic acid

C20H24N4O5 — CID 122194898

IUPAC(2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5-morpholin-4-yl-5-oxopentanoic acid
SMILESCn1nc(-c2ccccc2)cc1C(=O)N[C@H](CCC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C20H24N4O5/c1-23-17(13-16(22-23)14-5-3-2-4-6-14)19(26)21-15(20(27)28)7-8-18(25)24-9-11-29-12-10-24/h2-6,13,15H,7-12H2,1H3,(H,21,26)(H,27,28)/t15-/m1/s1
InChIKeyNWFVILXYDWDSCL-OAHLLOKOSA-N
MW400.44 g/mol
LogP0.91
Rot. Bonds7

About (2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5-morpholin-4-yl-5-oxopentanoic acid

(2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5-morpholin-4-yl-5-oxopentanoic acid (PubChem CID 122194898) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is (2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5-morpholin-4-yl-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5-morpholin-4-yl-5-oxopentanoic acid
PubChem CID122194898
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC Name(2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5-morpholin-4-yl-5-oxopentanoic acid
SMILESCn1nc(-c2ccccc2)cc1C(=O)N[C@H](CCC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C20H24N4O5/c1-23-17(13-16(22-23)14-5-3-2-4-6-14)19(26)21-15(20(27)28)7-8-18(25)24-9-11-29-12-10-24/h2-6,13,15H,7-12H2,1H3,(H,21,26)(H,27,28)/t15-/m1/s1
InChIKeyNWFVILXYDWDSCL-OAHLLOKOSA-N
XLogP0.91
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5-morpholin-4-yl-5-oxopentanoic acid?
The IUPAC name of (2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5-morpholin-4-yl-5-oxopentanoic acid (CID 122194898) is (2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5-morpholin-4-yl-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5-morpholin-4-yl-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5-morpholin-4-yl-5-oxopentanoic acid is Cn1nc(-c2ccccc2)cc1C(=O)N[C@H](CCC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of (2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5-morpholin-4-yl-5-oxopentanoic acid?
The InChIKey is NWFVILXYDWDSCL-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N4O5/c1-23-17(13-16(22-23)14-5-3-2-4-6-14)19(26)21-15(20(27)28)7-8-18(25)24-9-11-29-12-10-24/h2-6,13,15H,7-12H2,1H3,(H,21,26)(H,27,28)/t15-/m1/s1.
What are the key properties of (2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5-morpholin-4-yl-5-oxopentanoic acid?
(2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5-morpholin-4-yl-5-oxopentanoic acid has a molecular weight of 400.44 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5-morpholin-4-yl-5-oxopentanoic acid is sourced from PubChem (CID 122194898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).