methyl (2S)-2-amino-3,3-dicyclopropylpropanoate;hydrochloride

C10H18ClNO2 — CID 168869066

IUPACmethyl (2S)-2-amino-3,3-dicyclopropylpropanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)C(C1CC1)C1CC1.Cl
InChIInChI=1S/C10H17NO2.ClH/c1-13-10(12)9(11)8(6-2-3-6)7-4-5-7;/h6-9H,2-5,11H2,1H3;1H/t9-;/m0./s1
InChIKeyDCMJWOWBLXUYDM-FVGYRXGTSA-N
MW219.71 g/mol
LogP1.34
Rot. Bonds4

About methyl (2S)-2-amino-3,3-dicyclopropylpropanoate;hydrochloride

methyl (2S)-2-amino-3,3-dicyclopropylpropanoate;hydrochloride (PubChem CID 168869066) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is methyl (2S)-2-amino-3,3-dicyclopropylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3,3-dicyclopropylpropanoate;hydrochloride
PubChem CID168869066
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Namemethyl (2S)-2-amino-3,3-dicyclopropylpropanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)C(C1CC1)C1CC1.Cl
InChIInChI=1S/C10H17NO2.ClH/c1-13-10(12)9(11)8(6-2-3-6)7-4-5-7;/h6-9H,2-5,11H2,1H3;1H/t9-;/m0./s1
InChIKeyDCMJWOWBLXUYDM-FVGYRXGTSA-N
XLogP1.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3,3-dicyclopropylpropanoate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-3,3-dicyclopropylpropanoate;hydrochloride (CID 168869066) is methyl (2S)-2-amino-3,3-dicyclopropylpropanoate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-3,3-dicyclopropylpropanoate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-3,3-dicyclopropylpropanoate;hydrochloride is COC(=O)[C@@H](N)C(C1CC1)C1CC1.Cl.
What is the InChIKey of methyl (2S)-2-amino-3,3-dicyclopropylpropanoate;hydrochloride?
The InChIKey is DCMJWOWBLXUYDM-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H17NO2.ClH/c1-13-10(12)9(11)8(6-2-3-6)7-4-5-7;/h6-9H,2-5,11H2,1H3;1H/t9-;/m0./s1.
What are the key properties of methyl (2S)-2-amino-3,3-dicyclopropylpropanoate;hydrochloride?
methyl (2S)-2-amino-3,3-dicyclopropylpropanoate;hydrochloride has a molecular weight of 219.71 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3,3-dicyclopropylpropanoate;hydrochloride is sourced from PubChem (CID 168869066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).