(2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride

C9H18ClNO3 — CID 69019104

IUPAC(2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride
SMILESCO[C@@H]([C@H](C)C(=O)O)N1CCCC1.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-7(9(11)12)8(13-2)10-5-3-4-6-10;/h7-8H,3-6H2,1-2H3,(H,11,12);1H/t7-,8-;/m0./s1
InChIKeyMICSIRJPFDDROH-WSZWBAFRSA-N
MW223.70 g/mol
LogP1.20
Rot. Bonds4

About (2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride

(2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride (PubChem CID 69019104) has the molecular formula C9H18ClNO3 and a molecular weight of 223.70 g/mol. Its IUPAC name is (2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride
PubChem CID69019104
Molecular FormulaC9H18ClNO3
Molecular Weight223.70 g/mol
Exact Mass223.10
IUPAC Name(2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride
SMILESCO[C@@H]([C@H](C)C(=O)O)N1CCCC1.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-7(9(11)12)8(13-2)10-5-3-4-6-10;/h7-8H,3-6H2,1-2H3,(H,11,12);1H/t7-,8-;/m0./s1
InChIKeyMICSIRJPFDDROH-WSZWBAFRSA-N
XLogP1.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride?
The IUPAC name of (2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride (CID 69019104) is (2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride.
What is the SMILES notation for (2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride?
The canonical SMILES for (2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride is CO[C@@H]([C@H](C)C(=O)O)N1CCCC1.Cl.
What is the InChIKey of (2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride?
The InChIKey is MICSIRJPFDDROH-WSZWBAFRSA-N. The full InChI is InChI=1S/C9H17NO3.ClH/c1-7(9(11)12)8(13-2)10-5-3-4-6-10;/h7-8H,3-6H2,1-2H3,(H,11,12);1H/t7-,8-;/m0./s1.
What are the key properties of (2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride?
(2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride has a molecular weight of 223.70 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 69019104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).