2-[2-methylpropyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid

C15H25N3O3 — CID 62032074

IUPAC2-[2-methylpropyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
SMILESCc1nn(C)c(C)c1CCC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C15H25N3O3/c1-10(2)8-18(9-15(20)21)14(19)7-6-13-11(3)16-17(5)12(13)4/h10H,6-9H2,1-5H3,(H,20,21)
InChIKeyUYNAVYUQRUXFGW-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.54
Rot. Bonds7

About 2-[2-methylpropyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid

2-[2-methylpropyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid (PubChem CID 62032074) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[2-methylpropyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
PubChem CID62032074
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[2-methylpropyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
SMILESCc1nn(C)c(C)c1CCC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C15H25N3O3/c1-10(2)8-18(9-15(20)21)14(19)7-6-13-11(3)16-17(5)12(13)4/h10H,6-9H2,1-5H3,(H,20,21)
InChIKeyUYNAVYUQRUXFGW-UHFFFAOYSA-N
XLogP1.54
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[prop-2-enyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
CID 79256977
N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 119583409
2-[benzyl-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]amino]acetic acid
CID 119196717
2-methyl-2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]propanoic acid
CID 62819020
2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 63072604
2-[2-(dimethylamino)ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid
CID 103802828
N-(2-methylpropoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 115409753
N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentanecarboxamide
CID 46396702
2-[3-(2-methylphenyl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 63064470
2-[prop-2-enyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid
CID 79263566
N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 120884813
2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid
CID 119193017

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid (CID 62032074) is 2-[2-methylpropyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid is Cc1nn(C)c(C)c1CCC(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[2-methylpropyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid?
The InChIKey is UYNAVYUQRUXFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10(2)8-18(9-15(20)21)14(19)7-6-13-11(3)16-17(5)12(13)4/h10H,6-9H2,1-5H3,(H,20,21).
What are the key properties of 2-[2-methylpropyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid?
2-[2-methylpropyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid has a molecular weight of 295.38 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid is sourced from PubChem (CID 62032074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).