(2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid

C15H17N3O3 — CID 119366410

IUPAC(2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
SMILESCc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)nn1C
InChIInChI=1S/C15H17N3O3/c1-10-8-12(17-18(10)2)14(19)16-13(15(20)21)9-11-6-4-3-5-7-11/h3-8,13H,9H2,1-2H3,(H,16,19)(H,20,21)/t13-/m0/s1
InChIKeyDMWJGTPXTXBFAJ-ZDUSSCGKSA-N
MW287.32 g/mol
LogP1.15
Rot. Bonds5

About (2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid

(2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 119366410) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID119366410
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
SMILESCc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)nn1C
InChIInChI=1S/C15H17N3O3/c1-10-8-12(17-18(10)2)14(19)16-13(15(20)21)9-11-6-4-3-5-7-11/h3-8,13H,9H2,1-2H3,(H,16,19)(H,20,21)/t13-/m0/s1
InChIKeyDMWJGTPXTXBFAJ-ZDUSSCGKSA-N
XLogP1.15
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 103116341
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30075662
3-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219015
(2S)-3-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 119366419
2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 18072824
N-(2-benzylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 35324488
1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide
CID 19279641
2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropanoic acid
CID 120512144
1,5-dimethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrazole-3-carboxamide
CID 75767454
(2R)-2-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 119367111
(2S)-2-[[1-(4-methylphenyl)triazole-4-carbonyl]amino]-3-phenylpropanoic acid
CID 97233528
4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120546823

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid (CID 119366410) is (2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid is Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)nn1C.
What is the InChIKey of (2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is DMWJGTPXTXBFAJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-8-12(17-18(10)2)14(19)16-13(15(20)21)9-11-6-4-3-5-7-11/h3-8,13H,9H2,1-2H3,(H,16,19)(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid?
(2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 287.32 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 119366410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).