(2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one

C13H17ClN2O2 — CID 124593505

IUPAC(2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CC[C@H](Oc2ccccc2Cl)C1
InChIInChI=1S/C13H17ClN2O2/c1-9(15)13(17)16-7-6-10(8-16)18-12-5-3-2-4-11(12)14/h2-5,9-10H,6-8,15H2,1H3/t9-,10-/m0/s1
InChIKeyUFHNJPJMSJFLNE-UWVGGRQHSA-N
MW268.74 g/mol
LogP1.67
Rot. Bonds3

About (2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one

(2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one (PubChem CID 124593505) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one
PubChem CID124593505
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CC[C@H](Oc2ccccc2Cl)C1
InChIInChI=1S/C13H17ClN2O2/c1-9(15)13(17)16-7-6-10(8-16)18-12-5-3-2-4-11(12)14/h2-5,9-10H,6-8,15H2,1H3/t9-,10-/m0/s1
InChIKeyUFHNJPJMSJFLNE-UWVGGRQHSA-N
XLogP1.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[(3R)-3-(2-chlorophenoxy)pyrrolidin-1-yl]pentan-1-one
CID 97261184
3-amino-1-[3-(2-chlorophenoxy)piperidin-1-yl]butan-1-one
CID 120873460
(2S)-2-amino-1-[4-(2-chlorophenoxy)piperidin-1-yl]-4-methylsulfanylbutan-1-one;hydrochloride
CID 91647253
2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide
CID 66875568
(2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 124593054
(2S)-1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 95861244
1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 70718116
2-amino-1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-cyclopropylpropan-1-one
CID 75483886
(2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one
CID 66564457
(2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one
CID 67529016
N-[(2S)-1-[3-(2-chlorophenoxy)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 97152963
[4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone
CID 154879916

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one (CID 124593505) is (2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one is C[C@H](N)C(=O)N1CC[C@H](Oc2ccccc2Cl)C1.
What is the InChIKey of (2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one?
The InChIKey is UFHNJPJMSJFLNE-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9(15)13(17)16-7-6-10(8-16)18-12-5-3-2-4-11(12)14/h2-5,9-10H,6-8,15H2,1H3/t9-,10-/m0/s1.
What are the key properties of (2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one?
(2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one has a molecular weight of 268.74 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 124593505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).