5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-5-oxopentanoic acid

C13H20N4O4 — CID 43171953

IUPAC5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-5-oxopentanoic acid
SMILESCc1cc(C)n(CCC(=O)NC(CCC(N)=O)C(=O)O)n1
InChIInChI=1S/C13H20N4O4/c1-8-7-9(2)17(16-8)6-5-12(19)15-10(13(20)21)3-4-11(14)18/h7,10H,3-6H2,1-2H3,(H2,14,18)(H,15,19)(H,20,21)
InChIKeyJRZFZXRKFMUAMX-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.28
Rot. Bonds8

About 5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-5-oxopentanoic acid

5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-5-oxopentanoic acid (PubChem CID 43171953) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-5-oxopentanoic acid
PubChem CID43171953
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-5-oxopentanoic acid
SMILESCc1cc(C)n(CCC(=O)NC(CCC(N)=O)C(=O)O)n1
InChIInChI=1S/C13H20N4O4/c1-8-7-9(2)17(16-8)6-5-12(19)15-10(13(20)21)3-4-11(14)18/h7,10H,3-6H2,1-2H3,(H2,14,18)(H,15,19)(H,20,21)
InChIKeyJRZFZXRKFMUAMX-UHFFFAOYSA-N
XLogP-0.28
TPSA127.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
CID 60727791
2-cyclopropyl-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]acetic acid
CID 62697672
(2R)-5-amino-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 107829989
tert-butyl (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
CID 80999522
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63184682
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43648215
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]butanoic acid
CID 43648238
(2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]pentanoic acid
CID 107567749
N-[(S)-cyclopropyl(phenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 31407290
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide
CID 43418241
(2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid
CID 114006011
2-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123933276

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-5-oxopentanoic acid (CID 43171953) is 5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-5-oxopentanoic acid is Cc1cc(C)n(CCC(=O)NC(CCC(N)=O)C(=O)O)n1.
What is the InChIKey of 5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-5-oxopentanoic acid?
The InChIKey is JRZFZXRKFMUAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-8-7-9(2)17(16-8)6-5-12(19)15-10(13(20)21)3-4-11(14)18/h7,10H,3-6H2,1-2H3,(H2,14,18)(H,15,19)(H,20,21).
What are the key properties of 5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-5-oxopentanoic acid?
5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-5-oxopentanoic acid has a molecular weight of 296.33 g/mol, XLogP of -0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 43171953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).