1-cyclopropyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea

C9H18N2O2 — CID 79256331

IUPAC1-cyclopropyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
SMILESCC(C)[C@@H](CO)NC(=O)NC1CC1
InChIInChI=1S/C9H18N2O2/c1-6(2)8(5-12)11-9(13)10-7-3-4-7/h6-8,12H,3-5H2,1-2H3,(H2,10,11,13)/t8-/m1/s1
InChIKeyZJUMTGZPSSEVGP-MRVPVSSYSA-N
MW186.25 g/mol
LogP0.46
Rot. Bonds4

About 1-cyclopropyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea

1-cyclopropyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea (PubChem CID 79256331) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
PubChem CID79256331
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-cyclopropyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
SMILESCC(C)[C@@H](CO)NC(=O)NC1CC1
InChIInChI=1S/C9H18N2O2/c1-6(2)8(5-12)11-9(13)10-7-3-4-7/h6-8,12H,3-5H2,1-2H3,(H2,10,11,13)/t8-/m1/s1
InChIKeyZJUMTGZPSSEVGP-MRVPVSSYSA-N
XLogP0.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 79255042
1-cyclopropyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 62950697
1-cyclopropyl-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 115643204
1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea
CID 78998355
1-butan-2-yl-3-cyclopropylurea
CID 45366532
N-cyclopropyl-2-(cyclopropylcarbamoylamino)propanamide
CID 116657682
1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 99621484
1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-propylpiperidin-4-yl)urea
CID 111508109
2-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 79252136
1-(4-aminobutan-2-yl)-3-cyclopropylurea
CID 62698349
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopentanecarboxamide
CID 79247248
1-(1-cyclobutylethyl)-3-cyclopropylurea
CID 115766433

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea?
The IUPAC name of 1-cyclopropyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea (CID 79256331) is 1-cyclopropyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea is CC(C)[C@@H](CO)NC(=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea?
The InChIKey is ZJUMTGZPSSEVGP-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(2)8(5-12)11-9(13)10-7-3-4-7/h6-8,12H,3-5H2,1-2H3,(H2,10,11,13)/t8-/m1/s1.
What are the key properties of 1-cyclopropyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea?
1-cyclopropyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea has a molecular weight of 186.25 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea is sourced from PubChem (CID 79256331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).