3-cyclopropyl-3-(propylsulfamoylamino)propanoic acid

C9H18N2O4S — CID 114806972

IUPAC3-cyclopropyl-3-(propylsulfamoylamino)propanoic acid
SMILESCCCNS(=O)(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C9H18N2O4S/c1-2-5-10-16(14,15)11-8(6-9(12)13)7-3-4-7/h7-8,10-11H,2-6H2,1H3,(H,12,13)
InChIKeyHDXQOHFQPVRTPW-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.07
Rot. Bonds8

About 3-cyclopropyl-3-(propylsulfamoylamino)propanoic acid

3-cyclopropyl-3-(propylsulfamoylamino)propanoic acid (PubChem CID 114806972) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-cyclopropyl-3-(propylsulfamoylamino)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(propylsulfamoylamino)propanoic acid
PubChem CID114806972
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name3-cyclopropyl-3-(propylsulfamoylamino)propanoic acid
SMILESCCCNS(=O)(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C9H18N2O4S/c1-2-5-10-16(14,15)11-8(6-9(12)13)7-3-4-7/h7-8,10-11H,2-6H2,1H3,(H,12,13)
InChIKeyHDXQOHFQPVRTPW-UHFFFAOYSA-N
XLogP0.07
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-2-(propylsulfamoylamino)acetic acid
CID 114805745
(2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid
CID 104977826
3-cyclopropyl-3-(1-fluorobutoxycarbonylamino)propanoic acid
CID 69372005
(2S)-4-methoxy-4-oxo-2-(propylsulfamoylamino)butanoic acid
CID 104977912
3-[[(2S)-2-aminopentanoyl]amino]-3-cyclopropylpropanoic acid
CID 103870481
3-cyclopropyl-3-[(4-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 82002788
3-(2-methoxyethylsulfamoylamino)hexanoic acid
CID 114814835
3-cyclopropyl-3-(octan-4-ylcarbamoylamino)propanoic acid
CID 106020595
3-cyclopropyl-3-[(2,2-dimethylcyclopropyl)carbamoylamino]propanoic acid
CID 82003269
(2S)-2-(propylsulfamoylamino)butan-1-ol
CID 104981941
3-cyclopentyl-3-(propan-2-ylamino)propanoic acid
CID 83637719
3-cyclopropyl-3-(3-ethoxypropanoylamino)propanoic acid
CID 81361654

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(propylsulfamoylamino)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(propylsulfamoylamino)propanoic acid (CID 114806972) is 3-cyclopropyl-3-(propylsulfamoylamino)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(propylsulfamoylamino)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(propylsulfamoylamino)propanoic acid is CCCNS(=O)(=O)NC(CC(=O)O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(propylsulfamoylamino)propanoic acid?
The InChIKey is HDXQOHFQPVRTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-2-5-10-16(14,15)11-8(6-9(12)13)7-3-4-7/h7-8,10-11H,2-6H2,1H3,(H,12,13).
What are the key properties of 3-cyclopropyl-3-(propylsulfamoylamino)propanoic acid?
3-cyclopropyl-3-(propylsulfamoylamino)propanoic acid has a molecular weight of 250.32 g/mol, XLogP of 0.07, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(propylsulfamoylamino)propanoic acid is sourced from PubChem (CID 114806972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).