2-(cyclopropylsulfamoylamino)-5-methoxy-5-oxopentanoic acid

C9H16N2O6S — CID 114806990

IUPAC2-(cyclopropylsulfamoylamino)-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(NS(=O)(=O)NC1CC1)C(=O)O
InChIInChI=1S/C9H16N2O6S/c1-17-8(12)5-4-7(9(13)14)11-18(15,16)10-6-2-3-6/h6-7,10-11H,2-5H2,1H3,(H,13,14)
InChIKeyNCEBYOWTRBRVKG-UHFFFAOYSA-N
MW280.30 g/mol
LogP-1.02
Rot. Bonds8

About 2-(cyclopropylsulfamoylamino)-5-methoxy-5-oxopentanoic acid

2-(cyclopropylsulfamoylamino)-5-methoxy-5-oxopentanoic acid (PubChem CID 114806990) has the molecular formula C9H16N2O6S and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoylamino)-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name2-(cyclopropylsulfamoylamino)-5-methoxy-5-oxopentanoic acid
PubChem CID114806990
Molecular FormulaC9H16N2O6S
Molecular Weight280.30 g/mol
Exact Mass280.07
IUPAC Name2-(cyclopropylsulfamoylamino)-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(NS(=O)(=O)NC1CC1)C(=O)O
InChIInChI=1S/C9H16N2O6S/c1-17-8(12)5-4-7(9(13)14)11-18(15,16)10-6-2-3-6/h6-7,10-11H,2-5H2,1H3,(H,13,14)
InChIKeyNCEBYOWTRBRVKG-UHFFFAOYSA-N
XLogP-1.02
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylsulfamoylamino)-4-methoxybutanoic acid
CID 114533415
(2R)-5-amino-2-(cyclopropylsulfamoylamino)-5-oxopentanoic acid
CID 104935540
(2S)-5-methoxy-2-(methoxycarbonylsulfamoylamino)-5-oxopentanoic acid
CID 114005093
(2R)-2-(cyclopentylsulfonylamino)-5-methoxy-5-oxopentanoic acid
CID 114005100
(2S)-2-(cyclohexylsulfonylamino)-5-methoxy-5-oxopentanoic acid
CID 107823923
5-methoxy-5-oxo-2-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid
CID 114806989
(2S)-5-methoxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]-5-oxopentanoic acid
CID 104935653
2-(cyclopropylsulfamoylamino)propanoic acid
CID 114805252
(2R)-2-(1-cyanoethylsulfonylamino)-5-methoxy-5-oxopentanoic acid
CID 114005099
5-methoxy-2-methyl-5-oxopentanoic acid
CID 13192897
(2S)-5-methoxy-2-(methylamino)-5-oxopentanoic acid;hydrochloride
CID 122173679
(2R)-2-[3-(cyclopropylamino)propylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107826543

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfamoylamino)-5-methoxy-5-oxopentanoic acid?
The IUPAC name of 2-(cyclopropylsulfamoylamino)-5-methoxy-5-oxopentanoic acid (CID 114806990) is 2-(cyclopropylsulfamoylamino)-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for 2-(cyclopropylsulfamoylamino)-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for 2-(cyclopropylsulfamoylamino)-5-methoxy-5-oxopentanoic acid is COC(=O)CCC(NS(=O)(=O)NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylsulfamoylamino)-5-methoxy-5-oxopentanoic acid?
The InChIKey is NCEBYOWTRBRVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O6S/c1-17-8(12)5-4-7(9(13)14)11-18(15,16)10-6-2-3-6/h6-7,10-11H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-(cyclopropylsulfamoylamino)-5-methoxy-5-oxopentanoic acid?
2-(cyclopropylsulfamoylamino)-5-methoxy-5-oxopentanoic acid has a molecular weight of 280.30 g/mol, XLogP of -1.02, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfamoylamino)-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 114806990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).