1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea

C9H17FN2O — CID 127009415

IUPAC1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea
SMILESC[C@@H](CF)NC(=O)NC1CCCC1
InChIInChI=1S/C9H17FN2O/c1-7(6-10)11-9(13)12-8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H2,11,12,13)/t7-/m0/s1
InChIKeyFIRZIEZUJMLFOF-ZETCQYMHSA-N
MW188.25 g/mol
LogP1.59
Rot. Bonds3

About 1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea

1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea (PubChem CID 127009415) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea
PubChem CID127009415
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea
SMILESC[C@@H](CF)NC(=O)NC1CCCC1
InChIInChI=1S/C9H17FN2O/c1-7(6-10)11-9(13)12-8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H2,11,12,13)/t7-/m0/s1
InChIKeyFIRZIEZUJMLFOF-ZETCQYMHSA-N
XLogP1.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea
CID 115640204
1-cyclopentyl-3-[1-(dimethylamino)propan-2-yl]urea
CID 116657212
1-cyclobutyl-3-(4,4,4-trifluorobutan-2-yl)urea
CID 104854890
1-(4-aminopentan-2-yl)-3-cyclobutylurea
CID 116658905
1-cyclohexyl-3-(4-methylsulfinylbutan-2-yl)urea
CID 115698103
1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 113222806
1-butan-2-yl-3-cyclopropylurea
CID 45366532
1-cyclopropyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 62950697
N-cyclopentyl-2-(cyclopropylcarbamoylamino)propanamide
CID 47076626
1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea
CID 78998355
1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea
CID 115588349
5-(cyclobutylcarbamoylamino)hexanoic acid
CID 82848345

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea (CID 127009415) is 1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea is C[C@@H](CF)NC(=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea?
The InChIKey is FIRZIEZUJMLFOF-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-7(6-10)11-9(13)12-8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H2,11,12,13)/t7-/m0/s1.
What are the key properties of 1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea?
1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea has a molecular weight of 188.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea is sourced from PubChem (CID 127009415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).