(3S)-3-(furan-2-yl)-3-[(1-methyl-3-propylpyrazole-5-carbonyl)amino]propanoic acid

C15H19N3O4 — CID 97202279

IUPAC(3S)-3-(furan-2-yl)-3-[(1-methyl-3-propylpyrazole-5-carbonyl)amino]propanoic acid
SMILESCCCc1cc(C(=O)N[C@@H](CC(=O)O)c2ccco2)n(C)n1
InChIInChI=1S/C15H19N3O4/c1-3-5-10-8-12(18(2)17-10)15(21)16-11(9-14(19)20)13-6-4-7-22-13/h4,6-8,11H,3,5,9H2,1-2H3,(H,16,21)(H,19,20)/t11-/m0/s1
InChIKeyOIPPCGODFKRSSY-NSHDSACASA-N
MW305.33 g/mol
LogP1.91
Rot. Bonds7

About (3S)-3-(furan-2-yl)-3-[(1-methyl-3-propylpyrazole-5-carbonyl)amino]propanoic acid

(3S)-3-(furan-2-yl)-3-[(1-methyl-3-propylpyrazole-5-carbonyl)amino]propanoic acid (PubChem CID 97202279) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is (3S)-3-(furan-2-yl)-3-[(1-methyl-3-propylpyrazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(3S)-3-(furan-2-yl)-3-[(1-methyl-3-propylpyrazole-5-carbonyl)amino]propanoic acid
PubChem CID97202279
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name(3S)-3-(furan-2-yl)-3-[(1-methyl-3-propylpyrazole-5-carbonyl)amino]propanoic acid
SMILESCCCc1cc(C(=O)N[C@@H](CC(=O)O)c2ccco2)n(C)n1
InChIInChI=1S/C15H19N3O4/c1-3-5-10-8-12(18(2)17-10)15(21)16-11(9-14(19)20)13-6-4-7-22-13/h4,6-8,11H,3,5,9H2,1-2H3,(H,16,21)(H,19,20)/t11-/m0/s1
InChIKeyOIPPCGODFKRSSY-NSHDSACASA-N
XLogP1.91
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[[2-(ethylamino)pyrimidine-5-carbonyl]amino]-3-(furan-2-yl)propanoic acid
CID 97195064
1-(1-methyl-3-propylpyrazol-5-yl)ethanone
CID 58815494
(3R)-3-(butylsulfanylcarbonylamino)-3-(furan-2-yl)propanoic acid
CID 143634398
N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide
CID 985923
N-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-5-carboxamide
CID 42656738
(3R)-3-[(2,2-diphenylacetyl)amino]-3-(furan-2-yl)propanoic acid
CID 2235057
N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 70719530
(3R)-3-(2-chlorophenyl)-3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoic acid
CID 97215063
N-(2-ethylsulfanylethyl)-1-methyl-3-propylpyrazole-5-carboxamide
CID 70733343
N-(1-benzylpyrazol-4-yl)-1-methyl-3-propylpyrazole-5-carboxamide
CID 134701056
1-methyl-N-[[5-(methylcarbamoyl)furan-2-yl]methyl]-3-propylpyrazole-5-carboxamide
CID 70723882
(2R)-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 66120326

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(furan-2-yl)-3-[(1-methyl-3-propylpyrazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of (3S)-3-(furan-2-yl)-3-[(1-methyl-3-propylpyrazole-5-carbonyl)amino]propanoic acid (CID 97202279) is (3S)-3-(furan-2-yl)-3-[(1-methyl-3-propylpyrazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for (3S)-3-(furan-2-yl)-3-[(1-methyl-3-propylpyrazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for (3S)-3-(furan-2-yl)-3-[(1-methyl-3-propylpyrazole-5-carbonyl)amino]propanoic acid is CCCc1cc(C(=O)N[C@@H](CC(=O)O)c2ccco2)n(C)n1.
What is the InChIKey of (3S)-3-(furan-2-yl)-3-[(1-methyl-3-propylpyrazole-5-carbonyl)amino]propanoic acid?
The InChIKey is OIPPCGODFKRSSY-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N3O4/c1-3-5-10-8-12(18(2)17-10)15(21)16-11(9-14(19)20)13-6-4-7-22-13/h4,6-8,11H,3,5,9H2,1-2H3,(H,16,21)(H,19,20)/t11-/m0/s1.
What are the key properties of (3S)-3-(furan-2-yl)-3-[(1-methyl-3-propylpyrazole-5-carbonyl)amino]propanoic acid?
(3S)-3-(furan-2-yl)-3-[(1-methyl-3-propylpyrazole-5-carbonyl)amino]propanoic acid has a molecular weight of 305.33 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(furan-2-yl)-3-[(1-methyl-3-propylpyrazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 97202279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).