2-(cyclopropylsulfamoylamino)propanoic acid

C6H12N2O4S — CID 114805252

IUPAC2-(cyclopropylsulfamoylamino)propanoic acid
SMILESCC(NS(=O)(=O)NC1CC1)C(=O)O
InChIInChI=1S/C6H12N2O4S/c1-4(6(9)10)7-13(11,12)8-5-2-3-5/h4-5,7-8H,2-3H2,1H3,(H,9,10)
InChIKeyXGCHHUXLWDMOOW-UHFFFAOYSA-N
MW208.24 g/mol
LogP-0.95
Rot. Bonds5

About 2-(cyclopropylsulfamoylamino)propanoic acid

2-(cyclopropylsulfamoylamino)propanoic acid (PubChem CID 114805252) has the molecular formula C6H12N2O4S and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoylamino)propanoic acid.

Molecular Properties

Compound Name2-(cyclopropylsulfamoylamino)propanoic acid
PubChem CID114805252
Molecular FormulaC6H12N2O4S
Molecular Weight208.24 g/mol
Exact Mass208.05
IUPAC Name2-(cyclopropylsulfamoylamino)propanoic acid
SMILESCC(NS(=O)(=O)NC1CC1)C(=O)O
InChIInChI=1S/C6H12N2O4S/c1-4(6(9)10)7-13(11,12)8-5-2-3-5/h4-5,7-8H,2-3H2,1H3,(H,9,10)
InChIKeyXGCHHUXLWDMOOW-UHFFFAOYSA-N
XLogP-0.95
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylsulfamoylamino)butan-2-one
CID 114808600
2-(cyclopropylsulfamoylamino)pentan-3-one
CID 114808587
4-(propan-2-ylsulfamoylamino)cyclohexan-1-ol
CID 103946865
N-(butan-2-ylsulfamoyl)cyclopropanamine
CID 114383068
2-(cyclopropylsulfamoylamino)-4-methoxybutanoic acid
CID 114533415
2-(cyclopropylsulfamoylamino)-5-methoxy-5-oxopentanoic acid
CID 114806990
(2R)-2-(cyclopentylsulfonylamino)propanoic acid
CID 105360780
(2R)-5-amino-2-(cyclopropylsulfamoylamino)-5-oxopentanoic acid
CID 104935540
4-N-(cyclopropylsulfamoyl)pentane-2,4-diamine
CID 114812950
2-(cyclopropylsulfamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 114533414
(2S)-2-(propylsulfonylamino)propanoic acid
CID 7130952
(2R)-2-(cyclopropylsulfamoylamino)-2-phenylethanol
CID 104919310

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfamoylamino)propanoic acid?
The IUPAC name of 2-(cyclopropylsulfamoylamino)propanoic acid (CID 114805252) is 2-(cyclopropylsulfamoylamino)propanoic acid.
What is the SMILES notation for 2-(cyclopropylsulfamoylamino)propanoic acid?
The canonical SMILES for 2-(cyclopropylsulfamoylamino)propanoic acid is CC(NS(=O)(=O)NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylsulfamoylamino)propanoic acid?
The InChIKey is XGCHHUXLWDMOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4S/c1-4(6(9)10)7-13(11,12)8-5-2-3-5/h4-5,7-8H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-(cyclopropylsulfamoylamino)propanoic acid?
2-(cyclopropylsulfamoylamino)propanoic acid has a molecular weight of 208.24 g/mol, XLogP of -0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfamoylamino)propanoic acid is sourced from PubChem (CID 114805252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).