1-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea

C18H27N3O2 — CID 99698318

IUPAC1-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
SMILESC[C@@H]1C[C@H](NC(=O)N[C@H](CO)Cc2ccccc2)CN1C1CC1
InChIInChI=1S/C18H27N3O2/c1-13-9-15(11-21(13)17-7-8-17)19-18(23)20-16(12-22)10-14-5-3-2-4-6-14/h2-6,13,15-17,22H,7-12H2,1H3,(H2,19,20,23)/t13-,15+,16+/m1/s1
InChIKeyKVCUTVPUXKTWAY-KBMXLJTQSA-N
MW317.43 g/mol
LogP1.51
Rot. Bonds6

About 1-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea

1-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea (PubChem CID 99698318) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
PubChem CID99698318
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
SMILESC[C@@H]1C[C@H](NC(=O)N[C@H](CO)Cc2ccccc2)CN1C1CC1
InChIInChI=1S/C18H27N3O2/c1-13-9-15(11-21(13)17-7-8-17)19-18(23)20-16(12-22)10-14-5-3-2-4-6-14/h2-6,13,15-17,22H,7-12H2,1H3,(H2,19,20,23)/t13-,15+,16+/m1/s1
InChIKeyKVCUTVPUXKTWAY-KBMXLJTQSA-N
XLogP1.51
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-phenylpropanamide
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1-(1-tert-butylpiperidin-4-yl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 110900882
1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
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1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
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1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
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1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]urea
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N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-1-carboxamide
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3-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methyl-3-phenylpropanamide
CID 119900314
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-methoxycyclohexyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
The IUPAC name of 1-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea (CID 99698318) is 1-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea.
What is the SMILES notation for 1-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
The canonical SMILES for 1-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea is C[C@@H]1C[C@H](NC(=O)N[C@H](CO)Cc2ccccc2)CN1C1CC1.
What is the InChIKey of 1-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
The InChIKey is KVCUTVPUXKTWAY-KBMXLJTQSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-9-15(11-21(13)17-7-8-17)19-18(23)20-16(12-22)10-14-5-3-2-4-6-14/h2-6,13,15-17,22H,7-12H2,1H3,(H2,19,20,23)/t13-,15+,16+/m1/s1.
What are the key properties of 1-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
1-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea has a molecular weight of 317.43 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 99698318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).