2-(cyclopropylsulfamoylamino)-4-methoxybutanoic acid

C8H16N2O5S — CID 114533415

IUPAC2-(cyclopropylsulfamoylamino)-4-methoxybutanoic acid
SMILESCOCCC(NS(=O)(=O)NC1CC1)C(=O)O
InChIInChI=1S/C8H16N2O5S/c1-15-5-4-7(8(11)12)10-16(13,14)9-6-2-3-6/h6-7,9-10H,2-5H2,1H3,(H,11,12)
InChIKeyPLNJFLKPBCFOKC-UHFFFAOYSA-N
MW252.29 g/mol
LogP-0.94
Rot. Bonds8

About 2-(cyclopropylsulfamoylamino)-4-methoxybutanoic acid

2-(cyclopropylsulfamoylamino)-4-methoxybutanoic acid (PubChem CID 114533415) has the molecular formula C8H16N2O5S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoylamino)-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-(cyclopropylsulfamoylamino)-4-methoxybutanoic acid
PubChem CID114533415
Molecular FormulaC8H16N2O5S
Molecular Weight252.29 g/mol
Exact Mass252.08
IUPAC Name2-(cyclopropylsulfamoylamino)-4-methoxybutanoic acid
SMILESCOCCC(NS(=O)(=O)NC1CC1)C(=O)O
InChIInChI=1S/C8H16N2O5S/c1-15-5-4-7(8(11)12)10-16(13,14)9-6-2-3-6/h6-7,9-10H,2-5H2,1H3,(H,11,12)
InChIKeyPLNJFLKPBCFOKC-UHFFFAOYSA-N
XLogP-0.94
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylsulfamoylamino)-5-methoxy-5-oxopentanoic acid
CID 114806990
(2R)-5-amino-2-(cyclopropylsulfamoylamino)-5-oxopentanoic acid
CID 104935540
2-(cyclopentylsulfonylamino)-4-methoxybutanoic acid
CID 105360794
3-N-(cyclopropylsulfamoyl)-4-methoxybutane-1,3-diamine
CID 106153953
2-(cyclopropylsulfamoylamino)propanoic acid
CID 114805252
4-methoxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]butanoic acid
CID 62480752
(2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid
CID 107564844
2-(dipropylsulfamoylamino)-4-methoxybutanoic acid
CID 62479156
2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid
CID 62478798
2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride
CID 75493650
2-[(4-fluorophenyl)methylsulfonylamino]-4-methoxybutanoic acid
CID 62478270
4-methoxy-2-[(3-methoxycyclopentyl)carbamoylamino]butanoic acid
CID 114118208

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfamoylamino)-4-methoxybutanoic acid?
The IUPAC name of 2-(cyclopropylsulfamoylamino)-4-methoxybutanoic acid (CID 114533415) is 2-(cyclopropylsulfamoylamino)-4-methoxybutanoic acid.
What is the SMILES notation for 2-(cyclopropylsulfamoylamino)-4-methoxybutanoic acid?
The canonical SMILES for 2-(cyclopropylsulfamoylamino)-4-methoxybutanoic acid is COCCC(NS(=O)(=O)NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylsulfamoylamino)-4-methoxybutanoic acid?
The InChIKey is PLNJFLKPBCFOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5S/c1-15-5-4-7(8(11)12)10-16(13,14)9-6-2-3-6/h6-7,9-10H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-(cyclopropylsulfamoylamino)-4-methoxybutanoic acid?
2-(cyclopropylsulfamoylamino)-4-methoxybutanoic acid has a molecular weight of 252.29 g/mol, XLogP of -0.94, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfamoylamino)-4-methoxybutanoic acid is sourced from PubChem (CID 114533415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).