(2R)-2-chloro-1-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one

C12H20ClNO2 — CID 129499354

IUPAC(2R)-2-chloro-1-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one
SMILESC[C@@H](Cl)C(=O)N1C[C@@H](CO)C2(CCCC2)C1
InChIInChI=1S/C12H20ClNO2/c1-9(13)11(16)14-6-10(7-15)12(8-14)4-2-3-5-12/h9-10,15H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyJSHVASGGXNNFKH-ZJUUUORDSA-N
MW245.75 g/mol
LogP1.62
Rot. Bonds2

About (2R)-2-chloro-1-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one

(2R)-2-chloro-1-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one (PubChem CID 129499354) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is (2R)-2-chloro-1-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-chloro-1-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one
PubChem CID129499354
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name(2R)-2-chloro-1-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one
SMILESC[C@@H](Cl)C(=O)N1C[C@@H](CO)C2(CCCC2)C1
InChIInChI=1S/C12H20ClNO2/c1-9(13)11(16)14-6-10(7-15)12(8-14)4-2-3-5-12/h9-10,15H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyJSHVASGGXNNFKH-ZJUUUORDSA-N
XLogP1.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (2R)-2-chloro-1-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-chloro-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one
CID 129413753
3-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]-3-oxopropanenitrile
CID 121202820
(2S)-1-[(3aR,6aS)-3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-chloropropan-1-one
CID 129497664
[(4S)-2-amino-2-azaspiro[4.4]nonan-4-yl]methanol
CID 129497777
2-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.5]decan-2-yl]acetic acid
CID 129495518
[(8R)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 129498418
1-(2-azaspiro[4.5]decan-2-yl)-2-chloropropan-1-one
CID 130164939
tert-butyl 4-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-2-carboxylate
CID 82379353
2-cyclohexyl-1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 91910406
[(8S)-6-amino-6-azaspiro[3.4]octan-8-yl]methanol
CID 129496100
(6-amino-6-azaspiro[3.4]octan-8-yl)methanol
CID 121204402
1-[(3R)-3-aminopiperidin-1-yl]-2-chloropropan-1-one
CID 165442334

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-1-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one?
The IUPAC name of (2R)-2-chloro-1-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one (CID 129499354) is (2R)-2-chloro-1-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one.
What is the SMILES notation for (2R)-2-chloro-1-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one?
The canonical SMILES for (2R)-2-chloro-1-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one is C[C@@H](Cl)C(=O)N1C[C@@H](CO)C2(CCCC2)C1.
What is the InChIKey of (2R)-2-chloro-1-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one?
The InChIKey is JSHVASGGXNNFKH-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H20ClNO2/c1-9(13)11(16)14-6-10(7-15)12(8-14)4-2-3-5-12/h9-10,15H,2-8H2,1H3/t9-,10+/m1/s1.
What are the key properties of (2R)-2-chloro-1-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one?
(2R)-2-chloro-1-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one has a molecular weight of 245.75 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-1-[(4S)-4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one is sourced from PubChem (CID 129499354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).