(2R)-2-amino-1-[(3R)-3-(2-methylpropoxy)pyrrolidin-1-yl]-3-phenylpropan-1-one

C17H26N2O2 — CID 124681786

IUPAC(2R)-2-amino-1-[(3R)-3-(2-methylpropoxy)pyrrolidin-1-yl]-3-phenylpropan-1-one
SMILESCC(C)CO[C@@H]1CCN(C(=O)[C@H](N)Cc2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c1-13(2)12-21-15-8-9-19(11-15)17(20)16(18)10-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,18H2,1-2H3/t15-,16-/m1/s1
InChIKeyVIQRJLUTKATOKR-HZPDHXFCSA-N
MW290.41 g/mol
LogP1.83
Rot. Bonds6

About (2R)-2-amino-1-[(3R)-3-(2-methylpropoxy)pyrrolidin-1-yl]-3-phenylpropan-1-one

(2R)-2-amino-1-[(3R)-3-(2-methylpropoxy)pyrrolidin-1-yl]-3-phenylpropan-1-one (PubChem CID 124681786) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2R)-2-amino-1-[(3R)-3-(2-methylpropoxy)pyrrolidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[(3R)-3-(2-methylpropoxy)pyrrolidin-1-yl]-3-phenylpropan-1-one
PubChem CID124681786
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2R)-2-amino-1-[(3R)-3-(2-methylpropoxy)pyrrolidin-1-yl]-3-phenylpropan-1-one
SMILESCC(C)CO[C@@H]1CCN(C(=O)[C@H](N)Cc2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c1-13(2)12-21-15-8-9-19(11-15)17(20)16(18)10-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,18H2,1-2H3/t15-,16-/m1/s1
InChIKeyVIQRJLUTKATOKR-HZPDHXFCSA-N
XLogP1.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 103532839
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
(2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one
CID 124590633
(2S)-2-amino-3-(4-hydroxyphenyl)-1-(3-methoxypyrrolidin-1-yl)propan-1-one
CID 103533022
(2R)-2-amino-3-phenyl-1-[(2S)-2-propan-2-ylthiomorpholin-4-yl]propan-1-one
CID 124569098
(2S)-2-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119292093
2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63166900
2-amino-1-(3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 22610288
2-amino-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 57096305
(2-aminophenyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
CID 119946020
2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 103533196
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[(3R)-3-(2-methylpropoxy)pyrrolidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of (2R)-2-amino-1-[(3R)-3-(2-methylpropoxy)pyrrolidin-1-yl]-3-phenylpropan-1-one (CID 124681786) is (2R)-2-amino-1-[(3R)-3-(2-methylpropoxy)pyrrolidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[(3R)-3-(2-methylpropoxy)pyrrolidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for (2R)-2-amino-1-[(3R)-3-(2-methylpropoxy)pyrrolidin-1-yl]-3-phenylpropan-1-one is CC(C)CO[C@@H]1CCN(C(=O)[C@H](N)Cc2ccccc2)C1.
What is the InChIKey of (2R)-2-amino-1-[(3R)-3-(2-methylpropoxy)pyrrolidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is VIQRJLUTKATOKR-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)12-21-15-8-9-19(11-15)17(20)16(18)10-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,18H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of (2R)-2-amino-1-[(3R)-3-(2-methylpropoxy)pyrrolidin-1-yl]-3-phenylpropan-1-one?
(2R)-2-amino-1-[(3R)-3-(2-methylpropoxy)pyrrolidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 290.41 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[(3R)-3-(2-methylpropoxy)pyrrolidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 124681786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).