methyl (2R,3R)-2-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride

C9H18ClNO2 — CID 122163643

IUPACmethyl (2R,3R)-2-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1CCN[C@@H]1C(C)C.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-6(2)8-7(4-5-10-8)9(11)12-3;/h6-8,10H,4-5H2,1-3H3;1H/t7-,8-;/m1./s1
InChIKeyMPRJWNDWGYHUNZ-SCLLHFNJSA-N
MW207.70 g/mol
LogP1.22
Rot. Bonds2

About methyl (2R,3R)-2-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride

methyl (2R,3R)-2-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride (PubChem CID 122163643) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is methyl (2R,3R)-2-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R,3R)-2-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride
PubChem CID122163643
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Namemethyl (2R,3R)-2-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1CCN[C@@H]1C(C)C.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-6(2)8-7(4-5-10-8)9(11)12-3;/h6-8,10H,4-5H2,1-3H3;1H/t7-,8-;/m1./s1
InChIKeyMPRJWNDWGYHUNZ-SCLLHFNJSA-N
XLogP1.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-propan-2-ylpiperidine-3-carboxylate
CID 83855212
methyl 2-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 105450407
cis-methyl (1S,2S)-2-propan-2-ylcyclobutane-1-carboxylate
CID 59802095
methyl 2-phenylpyrrolidine-3-carboxylate
CID 12955149
methyl (2S,3R)-2-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxylate
CID 91349556
methyl (3R)-3-hydroxypyrrolidine-2-carboxylate
CID 54509998
methyl 2-ethyl-3-methylpiperidine-4-carboxylate
CID 83915229
methyl (3R,4R)-4-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride
CID 72699098
methyl (3S,4R)-4-hydroxypiperidine-3-carboxylate;hydrochloride
CID 154810489
methyl (2S,3R)-2-(4-chlorophenyl)pyrrolidine-3-carboxylate
CID 11207186
methyl (2S,3S)-2-(3-methoxy-3-oxopropyl)pyrrolidine-3-carboxylate
CID 11769862
methyl 3-fluoropiperidine-4-carboxylate;hydrochloride
CID 84720949

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-2-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl (2R,3R)-2-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride (CID 122163643) is methyl (2R,3R)-2-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl (2R,3R)-2-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl (2R,3R)-2-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride is COC(=O)[C@@H]1CCN[C@@H]1C(C)C.Cl.
What is the InChIKey of methyl (2R,3R)-2-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride?
The InChIKey is MPRJWNDWGYHUNZ-SCLLHFNJSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-6(2)8-7(4-5-10-8)9(11)12-3;/h6-8,10H,4-5H2,1-3H3;1H/t7-,8-;/m1./s1.
What are the key properties of methyl (2R,3R)-2-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride?
methyl (2R,3R)-2-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-2-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 122163643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).