cyclopentyl 3-amino-2-chloro-2-methylpropanoate

C9H16ClNO2 — CID 175628072

IUPACcyclopentyl 3-amino-2-chloro-2-methylpropanoate
SMILESCC(Cl)(CN)C(=O)OC1CCCC1
InChIInChI=1S/C9H16ClNO2/c1-9(10,6-11)8(12)13-7-4-2-3-5-7/h7H,2-6,11H2,1H3
InChIKeyZHIJFOLTAVOFNZ-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.43
Rot. Bonds3

About cyclopentyl 3-amino-2-chloro-2-methylpropanoate

cyclopentyl 3-amino-2-chloro-2-methylpropanoate (PubChem CID 175628072) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is cyclopentyl 3-amino-2-chloro-2-methylpropanoate.

Molecular Properties

Compound Namecyclopentyl 3-amino-2-chloro-2-methylpropanoate
PubChem CID175628072
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Namecyclopentyl 3-amino-2-chloro-2-methylpropanoate
SMILESCC(Cl)(CN)C(=O)OC1CCCC1
InChIInChI=1S/C9H16ClNO2/c1-9(10,6-11)8(12)13-7-4-2-3-5-7/h7H,2-6,11H2,1H3
InChIKeyZHIJFOLTAVOFNZ-UHFFFAOYSA-N
XLogP1.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl 4-amino-3-hydroxy-3-methylbutanoate
CID 66002192
(3-methylcyclohexyl) 3-amino-2,2-dimethylpropanoate
CID 115428214
tricyclohexyl propane-1,1,1-tricarboxylate
CID 141164819
cyclohexyl 2-aminoacetate;hydrochloride
CID 14180607
2-chloropropan-2-yl cyclohexyl carbonate
CID 163283556
cyclobutyl 2,2,2-triaminoacetate
CID 163606846
cycloheptyl 2-methyl-2-(trifluoromethyl)butanoate
CID 59422991
cyclohexyl 2-methyl-2-(2-methylpropanoyloxy)propanoate
CID 155589409
dicyclohexyl 2,2-diethylbutanedioate
CID 175265226
tert-butyl 2,2-dimethylpropanoate;bis(cyclohexyl 2,2-dimethylpropanoate)
CID 159925265
cyclohexyl 2-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)propanoate
CID 145213360
(1-methylpiperidin-4-yl) 3-amino-2-hydroxy-2-methylpropanoate
CID 66172845

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 3-amino-2-chloro-2-methylpropanoate?
The IUPAC name of cyclopentyl 3-amino-2-chloro-2-methylpropanoate (CID 175628072) is cyclopentyl 3-amino-2-chloro-2-methylpropanoate.
What is the SMILES notation for cyclopentyl 3-amino-2-chloro-2-methylpropanoate?
The canonical SMILES for cyclopentyl 3-amino-2-chloro-2-methylpropanoate is CC(Cl)(CN)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 3-amino-2-chloro-2-methylpropanoate?
The InChIKey is ZHIJFOLTAVOFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2/c1-9(10,6-11)8(12)13-7-4-2-3-5-7/h7H,2-6,11H2,1H3.
What are the key properties of cyclopentyl 3-amino-2-chloro-2-methylpropanoate?
cyclopentyl 3-amino-2-chloro-2-methylpropanoate has a molecular weight of 205.68 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 3-amino-2-chloro-2-methylpropanoate is sourced from PubChem (CID 175628072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).