2-[cyclopropyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid

C13H20N4O5S — CID 122067240

IUPAC2-[cyclopropyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid
SMILESCC(NS(=O)(=O)c1cnn(C)c1)C(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C13H20N4O5S/c1-8(15-23(21,22)11-6-14-16(3)7-11)12(18)17(10-4-5-10)9(2)13(19)20/h6-10,15H,4-5H2,1-3H3,(H,19,20)
InChIKeyVPJMIJJVSSINJZ-UHFFFAOYSA-N
MW344.39 g/mol
LogP-0.45
Rot. Bonds7

About 2-[cyclopropyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid

2-[cyclopropyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid (PubChem CID 122067240) has the molecular formula C13H20N4O5S and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid
PubChem CID122067240
Molecular FormulaC13H20N4O5S
Molecular Weight344.39 g/mol
Exact Mass344.12
IUPAC Name2-[cyclopropyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid
SMILESCC(NS(=O)(=O)c1cnn(C)c1)C(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C13H20N4O5S/c1-8(15-23(21,22)11-6-14-16(3)7-11)12(18)17(10-4-5-10)9(2)13(19)20/h6-10,15H,4-5H2,1-3H3,(H,19,20)
InChIKeyVPJMIJJVSSINJZ-UHFFFAOYSA-N
XLogP-0.45
TPSA121.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 47034944
2-[methyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]acetic acid
CID 119346265
(2S)-3-methyl-2-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoylamino]butanoic acid
CID 119359838
4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 43172812
(2S)-4-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 61154150
N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 119660888
(2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanedioic acid
CID 113226185
(2S)-4-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 104935052
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 119575571
2-[[2-[(1-methylpyrazol-4-yl)sulfonylamino]acetyl]amino]propanoic acid
CID 119348503
N-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride
CID 119469373
N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1-methylpyrazole-4-sulfonamide;hydrochloride
CID 119625024

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid (CID 122067240) is 2-[cyclopropyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid is CC(NS(=O)(=O)c1cnn(C)c1)C(=O)N(C1CC1)C(C)C(=O)O.
What is the InChIKey of 2-[cyclopropyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid?
The InChIKey is VPJMIJJVSSINJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O5S/c1-8(15-23(21,22)11-6-14-16(3)7-11)12(18)17(10-4-5-10)9(2)13(19)20/h6-10,15H,4-5H2,1-3H3,(H,19,20).
What are the key properties of 2-[cyclopropyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid?
2-[cyclopropyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid has a molecular weight of 344.39 g/mol, XLogP of -0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-[(1-methylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid is sourced from PubChem (CID 122067240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).