3-[propan-2-yl-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid

C15H26N4O5S — CID 119207278

IUPAC3-[propan-2-yl-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(C)C(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C15H26N4O5S/c1-9(2)19(8-7-13(20)21)15(22)11(4)17-25(23,24)14-10(3)16-18(6)12(14)5/h9,11,17H,7-8H2,1-6H3,(H,20,21)
InChIKeyOLSKKXIMVIMAOX-UHFFFAOYSA-N
MW374.46 g/mol
LogP0.42
Rot. Bonds8

About 3-[propan-2-yl-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid

3-[propan-2-yl-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid (PubChem CID 119207278) has the molecular formula C15H26N4O5S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-[propan-2-yl-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[propan-2-yl-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid
PubChem CID119207278
Molecular FormulaC15H26N4O5S
Molecular Weight374.46 g/mol
Exact Mass374.16
IUPAC Name3-[propan-2-yl-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(C)C(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C15H26N4O5S/c1-9(2)19(8-7-13(20)21)15(22)11(4)17-25(23,24)14-10(3)16-18(6)12(14)5/h9,11,17H,7-8H2,1-6H3,(H,20,21)
InChIKeyOLSKKXIMVIMAOX-UHFFFAOYSA-N
XLogP0.42
TPSA121.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
CID 47372336
2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid
CID 119171432
3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 54926881
2-methyl-3-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]propanoic acid
CID 119237110
N-piperidin-4-yl-N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119824243
2,2,2-trifluoroacetic acid;3-[2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]ethyldisulfanyl]propanoic acid
CID 166425017
3-[propan-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 60831751
N-propyl-N-pyrrolidin-3-yl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
CID 119531042
7-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]heptanoic acid
CID 43241419
3,3-dimethyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43468132
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pentanamide
CID 78820356
methyl 3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]butanoate
CID 43408373

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid?
The IUPAC name of 3-[propan-2-yl-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid (CID 119207278) is 3-[propan-2-yl-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid.
What is the SMILES notation for 3-[propan-2-yl-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid?
The canonical SMILES for 3-[propan-2-yl-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid is Cc1nn(C)c(C)c1S(=O)(=O)NC(C)C(=O)N(CCC(=O)O)C(C)C.
What is the InChIKey of 3-[propan-2-yl-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid?
The InChIKey is OLSKKXIMVIMAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O5S/c1-9(2)19(8-7-13(20)21)15(22)11(4)17-25(23,24)14-10(3)16-18(6)12(14)5/h9,11,17H,7-8H2,1-6H3,(H,20,21).
What are the key properties of 3-[propan-2-yl-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid?
3-[propan-2-yl-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid has a molecular weight of 374.46 g/mol, XLogP of 0.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid is sourced from PubChem (CID 119207278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).