(2S)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid

C10H15N3O3 — CID 28742501

IUPAC(2S)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCc1nn(C)c(C)c1C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-5-8(7(3)13(4)12-5)9(14)11-6(2)10(15)16/h6H,1-4H3,(H,11,14)(H,15,16)/t6-/m0/s1
InChIKeyABJRWDCWQFPUHS-LURJTMIESA-N
MW225.25 g/mol
LogP0.24
Rot. Bonds3

About (2S)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid

(2S)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 28742501) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is (2S)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID28742501
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name(2S)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCc1nn(C)c(C)c1C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-5-8(7(3)13(4)12-5)9(14)11-6(2)10(15)16/h6H,1-4H3,(H,11,14)(H,15,16)/t6-/m0/s1
InChIKeyABJRWDCWQFPUHS-LURJTMIESA-N
XLogP0.24
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid (CID 28742501) is (2S)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid is Cc1nn(C)c(C)c1C(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is ABJRWDCWQFPUHS-LURJTMIESA-N. The full InChI is InChI=1S/C10H15N3O3/c1-5-8(7(3)13(4)12-5)9(14)11-6(2)10(15)16/h6H,1-4H3,(H,11,14)(H,15,16)/t6-/m0/s1.
What are the key properties of (2S)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid?
(2S)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 28742501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).