methyl 2-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoate

C14H24ClNO3 — CID 103491800

IUPACmethyl 2-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoate
SMILESCOC(=O)C(Cl)CNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H24ClNO3/c1-18-13(17)12(15)10-16-9-11-5-8-14(19-11)6-3-2-4-7-14/h11-12,16H,2-10H2,1H3
InChIKeyXLAXCMRVAKLSNG-UHFFFAOYSA-N
MW289.80 g/mol
LogP2.24
Rot. Bonds5

About methyl 2-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoate

methyl 2-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoate (PubChem CID 103491800) has the molecular formula C14H24ClNO3 and a molecular weight of 289.80 g/mol. Its IUPAC name is methyl 2-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoate
PubChem CID103491800
Molecular FormulaC14H24ClNO3
Molecular Weight289.80 g/mol
Exact Mass289.14
IUPAC Namemethyl 2-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoate
SMILESCOC(=O)C(Cl)CNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H24ClNO3/c1-18-13(17)12(15)10-16-9-11-5-8-14(19-11)6-3-2-4-7-14/h11-12,16H,2-10H2,1H3
InChIKeyXLAXCMRVAKLSNG-UHFFFAOYSA-N
XLogP2.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.80
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoate 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

2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102900792
2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)-N-propan-2-ylacetamide
CID 102896860
2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102897716
2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896547
2-(1-oxaspiro[4.5]decan-2-ylmethylamino)oxyacetamide
CID 102897726
N-(2-methoxyethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)acetamide
CID 102897739
N-(2-methylpropyl)-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanamide
CID 102897768
4-chloro-2-ethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102900846
1-methoxy-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butan-2-ol
CID 106246735
N-tert-butyl-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)acetamide
CID 102897648
3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoic acid
CID 102899126
2-cyclopropyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897426

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoate?
The IUPAC name of methyl 2-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoate (CID 103491800) is methyl 2-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoate.
What is the SMILES notation for methyl 2-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoate?
The canonical SMILES for methyl 2-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoate is COC(=O)C(Cl)CNCC1CCC2(CCCCC2)O1.
What is the InChIKey of methyl 2-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoate?
The InChIKey is XLAXCMRVAKLSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO3/c1-18-13(17)12(15)10-16-9-11-5-8-14(19-11)6-3-2-4-7-14/h11-12,16H,2-10H2,1H3.
What are the key properties of methyl 2-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoate?
methyl 2-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoate has a molecular weight of 289.80 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoate is sourced from PubChem (CID 103491800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).