methyl (2S)-2-amino-2-(1-methylpyrrol-2-yl)acetate;hydrochloride

C8H13ClN2O2 — CID 171212602

IUPACmethyl (2S)-2-amino-2-(1-methylpyrrol-2-yl)acetate;hydrochloride
SMILESCOC(=O)[C@@H](N)c1cccn1C.Cl
InChIInChI=1S/C8H12N2O2.ClH/c1-10-5-3-4-6(10)7(9)8(11)12-2;/h3-5,7H,9H2,1-2H3;1H/t7-;/m0./s1
InChIKeyABHYKXKJSNJVKO-FJXQXJEOSA-N
MW204.66 g/mol
LogP0.62
Rot. Bonds2

About methyl (2S)-2-amino-2-(1-methylpyrrol-2-yl)acetate;hydrochloride

methyl (2S)-2-amino-2-(1-methylpyrrol-2-yl)acetate;hydrochloride (PubChem CID 171212602) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-(1-methylpyrrol-2-yl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-(1-methylpyrrol-2-yl)acetate;hydrochloride
PubChem CID171212602
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Namemethyl (2S)-2-amino-2-(1-methylpyrrol-2-yl)acetate;hydrochloride
SMILESCOC(=O)[C@@H](N)c1cccn1C.Cl
InChIInChI=1S/C8H12N2O2.ClH/c1-10-5-3-4-6(10)7(9)8(11)12-2;/h3-5,7H,9H2,1-2H3;1H/t7-;/m0./s1
InChIKeyABHYKXKJSNJVKO-FJXQXJEOSA-N
XLogP0.62
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methoxy-(1-methylpyrrol-2-yl)methanol
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CID 171234245
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CID 95982482
methyl (2S)-2-amino-2-[2-hydroxy-3-(trifluoromethoxy)phenyl]acetate;hydrochloride
CID 171258855
(1S)-3-methyl-1-(1-methylpyrrol-2-yl)but-3-en-1-amine
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(R)-cyclopropyl-(1-methylpyrrol-2-yl)methanamine;hydrochloride
CID 171212590
methyl 2-amino-2-(7-fluoro-1-methylindol-2-yl)acetate
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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-(1-methylpyrrol-2-yl)acetate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-2-(1-methylpyrrol-2-yl)acetate;hydrochloride (CID 171212602) is methyl (2S)-2-amino-2-(1-methylpyrrol-2-yl)acetate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-2-(1-methylpyrrol-2-yl)acetate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-2-(1-methylpyrrol-2-yl)acetate;hydrochloride is COC(=O)[C@@H](N)c1cccn1C.Cl.
What is the InChIKey of methyl (2S)-2-amino-2-(1-methylpyrrol-2-yl)acetate;hydrochloride?
The InChIKey is ABHYKXKJSNJVKO-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H12N2O2.ClH/c1-10-5-3-4-6(10)7(9)8(11)12-2;/h3-5,7H,9H2,1-2H3;1H/t7-;/m0./s1.
What are the key properties of methyl (2S)-2-amino-2-(1-methylpyrrol-2-yl)acetate;hydrochloride?
methyl (2S)-2-amino-2-(1-methylpyrrol-2-yl)acetate;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-2-(1-methylpyrrol-2-yl)acetate;hydrochloride is sourced from PubChem (CID 171212602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).