2-(cyclopropylsulfamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid

C9H14N4O4S — CID 114533414

IUPAC2-(cyclopropylsulfamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCn1cc(C(NS(=O)(=O)NC2CC2)C(=O)O)cn1
InChIInChI=1S/C9H14N4O4S/c1-13-5-6(4-10-13)8(9(14)15)12-18(16,17)11-7-2-3-7/h4-5,7-8,11-12H,2-3H2,1H3,(H,14,15)
InChIKeyBZZBBFDOSFTHOO-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.87
Rot. Bonds6

About 2-(cyclopropylsulfamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid

2-(cyclopropylsulfamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid (PubChem CID 114533414) has the molecular formula C9H14N4O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(cyclopropylsulfamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
PubChem CID114533414
Molecular FormulaC9H14N4O4S
Molecular Weight274.30 g/mol
Exact Mass274.07
IUPAC Name2-(cyclopropylsulfamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCn1cc(C(NS(=O)(=O)NC2CC2)C(=O)O)cn1
InChIInChI=1S/C9H14N4O4S/c1-13-5-6(4-10-13)8(9(14)15)12-18(16,17)11-7-2-3-7/h4-5,7-8,11-12H,2-3H2,1H3,(H,14,15)
InChIKeyBZZBBFDOSFTHOO-UHFFFAOYSA-N
XLogP-0.87
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(difluoromethylsulfonylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288368
2-(1-methylpyrazol-4-yl)-2-(methylsulfonylmethylsulfonylamino)acetic acid
CID 82840501
2-[(2-methoxy-2-oxoethyl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279548
2-[(4-chlorophenyl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288364
2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 106139090
2-(1-methylpyrazol-4-yl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetic acid
CID 115288348
(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 93280089
2-[[(2R)-2-aminopropanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288761
2-(2,3-dimethylbutanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288233
2-chloro-N-cyclopropyl-2-(1-methylpyrazol-4-yl)acetamide
CID 62225884
2-(1-methylpyrazol-4-yl)-2-(prop-2-enoylamino)acetic acid
CID 115287988
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 103930364

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(cyclopropylsulfamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid (CID 114533414) is 2-(cyclopropylsulfamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(cyclopropylsulfamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(cyclopropylsulfamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid is Cn1cc(C(NS(=O)(=O)NC2CC2)C(=O)O)cn1.
What is the InChIKey of 2-(cyclopropylsulfamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid?
The InChIKey is BZZBBFDOSFTHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4S/c1-13-5-6(4-10-13)8(9(14)15)12-18(16,17)11-7-2-3-7/h4-5,7-8,11-12H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-(cyclopropylsulfamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid?
2-(cyclopropylsulfamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid has a molecular weight of 274.30 g/mol, XLogP of -0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 114533414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).