[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid

C15H22N2O4 — CID 68513118

IUPAC[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid
SMILESCOc1ccc([C@@H](O)[C@@H](CN2CCCC2)NC(=O)O)cc1
InChIInChI=1S/C15H22N2O4/c1-21-12-6-4-11(5-7-12)14(18)13(16-15(19)20)10-17-8-2-3-9-17/h4-7,13-14,16,18H,2-3,8-10H2,1H3,(H,19,20)/t13-,14-/m1/s1
InChIKeyUTKDZIDBQNJCSL-ZIAGYGMSSA-N
MW294.35 g/mol
LogP1.46
Rot. Bonds6

About [(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid

[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid (PubChem CID 68513118) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is [(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid
PubChem CID68513118
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid
SMILESCOc1ccc([C@@H](O)[C@@H](CN2CCCC2)NC(=O)O)cc1
InChIInChI=1S/C15H22N2O4/c1-21-12-6-4-11(5-7-12)14(18)13(16-15(19)20)10-17-8-2-3-9-17/h4-7,13-14,16,18H,2-3,8-10H2,1H3,(H,19,20)/t13-,14-/m1/s1
InChIKeyUTKDZIDBQNJCSL-ZIAGYGMSSA-N
XLogP1.46
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-1-hydroxy-1-[4-(3-phenoxypropoxy)phenyl]-3-pyrrolidin-1-ylpropan-2-yl]-6-(4-methoxyphenyl)-6-oxohexanamide
CID 59531004
N-[(1R,2R)-1-hydroxy-1-(4-methoxy-3-methylphenyl)-3-pyrrolidin-1-ylpropan-2-yl]-3-(4-methoxyphenoxy)propanamide
CID 59530862
N-[(2R)-1-hydroxy-1-[4-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpropan-2-yl]-6-(4-methoxyphenyl)-6-oxohexanamide
CID 90159878
(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 11652165
(1R,2R)-1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 822969
1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 3102574
3-(azepan-1-yl)-2-(4-methoxyphenyl)propanoic acid
CID 117245121
N-[(1R,2R)-1-hydroxy-1-[4-(2-methoxyethyl)phenyl]-3-pyrrolidin-1-ylpropan-2-yl]-5-(4-methoxyphenyl)-5-oxopentanamide
CID 59530910
6-[[1-hydroxy-1-(4-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]amino]-1-(4-methoxyphenyl)hexan-1-one
CID 90893501
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
N-[(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-3-(4-methoxyphenoxy)propanamide
CID 59531065
benzyl-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid
CID 67302978

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid?
The IUPAC name of [(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid (CID 68513118) is [(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid.
What is the SMILES notation for [(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid?
The canonical SMILES for [(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid is COc1ccc([C@@H](O)[C@@H](CN2CCCC2)NC(=O)O)cc1.
What is the InChIKey of [(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid?
The InChIKey is UTKDZIDBQNJCSL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-21-12-6-4-11(5-7-12)14(18)13(16-15(19)20)10-17-8-2-3-9-17/h4-7,13-14,16,18H,2-3,8-10H2,1H3,(H,19,20)/t13-,14-/m1/s1.
What are the key properties of [(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid?
[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid has a molecular weight of 294.35 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid is sourced from PubChem (CID 68513118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).