(1S,2R,3S,4S,5S)-2-amino-3,4-dimethyl-5-(phenylmethoxymethyl)cyclopentan-1-ol

C15H23NO2 — CID 58451425

IUPAC(1S,2R,3S,4S,5S)-2-amino-3,4-dimethyl-5-(phenylmethoxymethyl)cyclopentan-1-ol
SMILESC[C@H]1[C@H](C)[C@@H](COCc2ccccc2)[C@H](O)[C@@H]1N
InChIInChI=1S/C15H23NO2/c1-10-11(2)14(16)15(17)13(10)9-18-8-12-6-4-3-5-7-12/h3-7,10-11,13-15,17H,8-9,16H2,1-2H3/t10-,11-,13+,14+,15-/m0/s1
InChIKeyRXBBQDVKVMRRDS-ADNNSEGNSA-N
MW249.35 g/mol
LogP1.79
Rot. Bonds4

About (1S,2R,3S,4S,5S)-2-amino-3,4-dimethyl-5-(phenylmethoxymethyl)cyclopentan-1-ol

(1S,2R,3S,4S,5S)-2-amino-3,4-dimethyl-5-(phenylmethoxymethyl)cyclopentan-1-ol (PubChem CID 58451425) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (1S,2R,3S,4S,5S)-2-amino-3,4-dimethyl-5-(phenylmethoxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,3S,4S,5S)-2-amino-3,4-dimethyl-5-(phenylmethoxymethyl)cyclopentan-1-ol
PubChem CID58451425
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(1S,2R,3S,4S,5S)-2-amino-3,4-dimethyl-5-(phenylmethoxymethyl)cyclopentan-1-ol
SMILESC[C@H]1[C@H](C)[C@@H](COCc2ccccc2)[C@H](O)[C@@H]1N
InChIInChI=1S/C15H23NO2/c1-10-11(2)14(16)15(17)13(10)9-18-8-12-6-4-3-5-7-12/h3-7,10-11,13-15,17H,8-9,16H2,1-2H3/t10-,11-,13+,14+,15-/m0/s1
InChIKeyRXBBQDVKVMRRDS-ADNNSEGNSA-N
XLogP1.79
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S,3S,4R,5S)-3-bromo-5-(phenylmethoxymethyl)cyclopentane-1,2,4-triol
CID 102123627
[(1R,4S,5R)-4-hydroxy-5-(phenylmethoxymethyl)cyclopent-2-en-1-yl] acetate
CID 11492648
(3S,4S,6S)-4,6-dimethyl-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 126550257
(2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol
CID 91212823
2-methylidene-3,4-bis(phenylmethoxymethyl)cyclobutan-1-ol
CID 154928785
2-[6-[5-amino-4,6-dimethyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]acetic acid
CID 59937966
benzyl (2R,3R,4S,5S)-4-amino-2-methyl-5-phenyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 70302435
(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
CID 166976209
(1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane
CID 11056009
(2R,4S,6R)-2-methyl-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-amine
CID 118563862
(3R,4R,5S,6R)-3-amino-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol
CID 90939557
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,4S,5S)-2-amino-3,4-dimethyl-5-(phenylmethoxymethyl)cyclopentan-1-ol?
The IUPAC name of (1S,2R,3S,4S,5S)-2-amino-3,4-dimethyl-5-(phenylmethoxymethyl)cyclopentan-1-ol (CID 58451425) is (1S,2R,3S,4S,5S)-2-amino-3,4-dimethyl-5-(phenylmethoxymethyl)cyclopentan-1-ol.
What is the SMILES notation for (1S,2R,3S,4S,5S)-2-amino-3,4-dimethyl-5-(phenylmethoxymethyl)cyclopentan-1-ol?
The canonical SMILES for (1S,2R,3S,4S,5S)-2-amino-3,4-dimethyl-5-(phenylmethoxymethyl)cyclopentan-1-ol is C[C@H]1[C@H](C)[C@@H](COCc2ccccc2)[C@H](O)[C@@H]1N.
What is the InChIKey of (1S,2R,3S,4S,5S)-2-amino-3,4-dimethyl-5-(phenylmethoxymethyl)cyclopentan-1-ol?
The InChIKey is RXBBQDVKVMRRDS-ADNNSEGNSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-11(2)14(16)15(17)13(10)9-18-8-12-6-4-3-5-7-12/h3-7,10-11,13-15,17H,8-9,16H2,1-2H3/t10-,11-,13+,14+,15-/m0/s1.
What are the key properties of (1S,2R,3S,4S,5S)-2-amino-3,4-dimethyl-5-(phenylmethoxymethyl)cyclopentan-1-ol?
(1S,2R,3S,4S,5S)-2-amino-3,4-dimethyl-5-(phenylmethoxymethyl)cyclopentan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,4S,5S)-2-amino-3,4-dimethyl-5-(phenylmethoxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 58451425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).