methyl (2S)-2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoate;hydrochloride

C8H14ClNO2 — CID 73425474

IUPACmethyl (2S)-2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoate;hydrochloride
SMILESC=C1C[C@@H]1C[C@H](N)C(=O)OC.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-5-3-6(5)4-7(9)8(10)11-2;/h6-7H,1,3-4,9H2,2H3;1H/t6-,7+;/m1./s1
InChIKeyFLYSQDSGVXWADN-HHQFNNIRSA-N
MW191.66 g/mol
LogP0.87
Rot. Bonds3

About methyl (2S)-2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoate;hydrochloride

methyl (2S)-2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoate;hydrochloride (PubChem CID 73425474) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoate;hydrochloride
PubChem CID73425474
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Namemethyl (2S)-2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoate;hydrochloride
SMILESC=C1C[C@@H]1C[C@H](N)C(=O)OC.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-5-3-6(5)4-7(9)8(10)11-2;/h6-7H,1,3-4,9H2,2H3;1H/t6-,7+;/m1./s1
InChIKeyFLYSQDSGVXWADN-HHQFNNIRSA-N
XLogP0.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoate;hydrochloride (CID 73425474) is methyl (2S)-2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoate;hydrochloride is C=C1C[C@@H]1C[C@H](N)C(=O)OC.Cl.
What is the InChIKey of methyl (2S)-2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoate;hydrochloride?
The InChIKey is FLYSQDSGVXWADN-HHQFNNIRSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c1-5-3-6(5)4-7(9)8(10)11-2;/h6-7H,1,3-4,9H2,2H3;1H/t6-,7+;/m1./s1.
What are the key properties of methyl (2S)-2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoate;hydrochloride?
methyl (2S)-2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoate;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoate;hydrochloride is sourced from PubChem (CID 73425474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).