(S)-[(1S,2S)-2-aminocyclopentyl]-[1-(4-chlorophenyl)cyclobutyl]methanol

C16H22ClNO — CID 71522267

IUPAC(S)-[(1S,2S)-2-aminocyclopentyl]-[1-(4-chlorophenyl)cyclobutyl]methanol
SMILESN[C@H]1CCC[C@@H]1[C@H](O)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C16H22ClNO/c17-12-7-5-11(6-8-12)16(9-2-10-16)15(19)13-3-1-4-14(13)18/h5-8,13-15,19H,1-4,9-10,18H2/t13-,14-,15-/m0/s1
InChIKeyNDWSGCOLESQGKR-KKUMJFAQSA-N
MW279.81 g/mol
LogP3.25
Rot. Bonds3

About (S)-[(1S,2S)-2-aminocyclopentyl]-[1-(4-chlorophenyl)cyclobutyl]methanol

(S)-[(1S,2S)-2-aminocyclopentyl]-[1-(4-chlorophenyl)cyclobutyl]methanol (PubChem CID 71522267) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is (S)-[(1S,2S)-2-aminocyclopentyl]-[1-(4-chlorophenyl)cyclobutyl]methanol.

Molecular Properties

Compound Name(S)-[(1S,2S)-2-aminocyclopentyl]-[1-(4-chlorophenyl)cyclobutyl]methanol
PubChem CID71522267
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name(S)-[(1S,2S)-2-aminocyclopentyl]-[1-(4-chlorophenyl)cyclobutyl]methanol
SMILESN[C@H]1CCC[C@@H]1[C@H](O)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C16H22ClNO/c17-12-7-5-11(6-8-12)16(9-2-10-16)15(19)13-3-1-4-14(13)18/h5-8,13-15,19H,1-4,9-10,18H2/t13-,14-,15-/m0/s1
InChIKeyNDWSGCOLESQGKR-KKUMJFAQSA-N
XLogP3.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-[(1S,2S)-2-aminocyclopentyl]-[1-(4-chlorophenyl)cyclobutyl]methanol?
The IUPAC name of (S)-[(1S,2S)-2-aminocyclopentyl]-[1-(4-chlorophenyl)cyclobutyl]methanol (CID 71522267) is (S)-[(1S,2S)-2-aminocyclopentyl]-[1-(4-chlorophenyl)cyclobutyl]methanol.
What is the SMILES notation for (S)-[(1S,2S)-2-aminocyclopentyl]-[1-(4-chlorophenyl)cyclobutyl]methanol?
The canonical SMILES for (S)-[(1S,2S)-2-aminocyclopentyl]-[1-(4-chlorophenyl)cyclobutyl]methanol is N[C@H]1CCC[C@@H]1[C@H](O)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of (S)-[(1S,2S)-2-aminocyclopentyl]-[1-(4-chlorophenyl)cyclobutyl]methanol?
The InChIKey is NDWSGCOLESQGKR-KKUMJFAQSA-N. The full InChI is InChI=1S/C16H22ClNO/c17-12-7-5-11(6-8-12)16(9-2-10-16)15(19)13-3-1-4-14(13)18/h5-8,13-15,19H,1-4,9-10,18H2/t13-,14-,15-/m0/s1.
What are the key properties of (S)-[(1S,2S)-2-aminocyclopentyl]-[1-(4-chlorophenyl)cyclobutyl]methanol?
(S)-[(1S,2S)-2-aminocyclopentyl]-[1-(4-chlorophenyl)cyclobutyl]methanol has a molecular weight of 279.81 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(1S,2S)-2-aminocyclopentyl]-[1-(4-chlorophenyl)cyclobutyl]methanol is sourced from PubChem (CID 71522267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).