1-[(1R,2R)-2-methylcyclopropyl]-3-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea

C18H27N3O — CID 129423731

IUPAC1-[(1R,2R)-2-methylcyclopropyl]-3-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
SMILESC[C@@H]1C[C@H]1NC(=O)NC[C@H]1CCN(CCc2ccccc2)C1
InChIInChI=1S/C18H27N3O/c1-14-11-17(14)20-18(22)19-12-16-8-10-21(13-16)9-7-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3,(H2,19,20,22)/t14-,16-,17-/m1/s1
InChIKeyPEHVYWUFYDLGIJ-DJIMGWMZSA-N
MW301.43 g/mol
LogP2.26
Rot. Bonds6

About 1-[(1R,2R)-2-methylcyclopropyl]-3-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea

1-[(1R,2R)-2-methylcyclopropyl]-3-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea (PubChem CID 129423731) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-[(1R,2R)-2-methylcyclopropyl]-3-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[(1R,2R)-2-methylcyclopropyl]-3-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
PubChem CID129423731
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-[(1R,2R)-2-methylcyclopropyl]-3-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
SMILESC[C@@H]1C[C@H]1NC(=O)NC[C@H]1CCN(CCc2ccccc2)C1
InChIInChI=1S/C18H27N3O/c1-14-11-17(14)20-18(22)19-12-16-8-10-21(13-16)9-7-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3,(H2,19,20,22)/t14-,16-,17-/m1/s1
InChIKeyPEHVYWUFYDLGIJ-DJIMGWMZSA-N
XLogP2.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(1R,2R)-2-methylcyclopropyl]-3-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea with MolForge

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Related Compounds

1-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-prop-2-enylurea
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1-(3,4-dimethylphenyl)-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
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4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide
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4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
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3-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
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2-naphthalen-2-yloxy-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 97185415
1-(3-methyl-4-pyridinyl)-3-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-methylcyclopropyl]-3-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-[(1R,2R)-2-methylcyclopropyl]-3-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea (CID 129423731) is 1-[(1R,2R)-2-methylcyclopropyl]-3-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-[(1R,2R)-2-methylcyclopropyl]-3-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-[(1R,2R)-2-methylcyclopropyl]-3-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea is C[C@@H]1C[C@H]1NC(=O)NC[C@H]1CCN(CCc2ccccc2)C1.
What is the InChIKey of 1-[(1R,2R)-2-methylcyclopropyl]-3-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea?
The InChIKey is PEHVYWUFYDLGIJ-DJIMGWMZSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14-11-17(14)20-18(22)19-12-16-8-10-21(13-16)9-7-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3,(H2,19,20,22)/t14-,16-,17-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-methylcyclopropyl]-3-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea?
1-[(1R,2R)-2-methylcyclopropyl]-3-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea has a molecular weight of 301.43 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-methylcyclopropyl]-3-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 129423731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).