methyl (2S)-2-amino-2-(1-methylcyclopropyl)acetate

C7H13NO2 — CID 156751440

IUPACmethyl (2S)-2-amino-2-(1-methylcyclopropyl)acetate
SMILESCOC(=O)[C@@H](N)C1(C)CC1
InChIInChI=1S/C7H13NO2/c1-7(3-4-7)5(8)6(9)10-2/h5H,3-4,8H2,1-2H3/t5-/m1/s1
InChIKeySPXWXIUSRJUCAR-RXMQYKEDSA-N
MW143.19 g/mol
LogP0.29
Rot. Bonds2

About methyl (2S)-2-amino-2-(1-methylcyclopropyl)acetate

methyl (2S)-2-amino-2-(1-methylcyclopropyl)acetate (PubChem CID 156751440) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-(1-methylcyclopropyl)acetate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-(1-methylcyclopropyl)acetate
PubChem CID156751440
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl (2S)-2-amino-2-(1-methylcyclopropyl)acetate
SMILESCOC(=O)[C@@H](N)C1(C)CC1
InChIInChI=1S/C7H13NO2/c1-7(3-4-7)5(8)6(9)10-2/h5H,3-4,8H2,1-2H3/t5-/m1/s1
InChIKeySPXWXIUSRJUCAR-RXMQYKEDSA-N
XLogP0.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (2S)-2-amino-2-(1-methylcyclopropyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-(1-methylcyclopropyl)acetate?
The IUPAC name of methyl (2S)-2-amino-2-(1-methylcyclopropyl)acetate (CID 156751440) is methyl (2S)-2-amino-2-(1-methylcyclopropyl)acetate.
What is the SMILES notation for methyl (2S)-2-amino-2-(1-methylcyclopropyl)acetate?
The canonical SMILES for methyl (2S)-2-amino-2-(1-methylcyclopropyl)acetate is COC(=O)[C@@H](N)C1(C)CC1.
What is the InChIKey of methyl (2S)-2-amino-2-(1-methylcyclopropyl)acetate?
The InChIKey is SPXWXIUSRJUCAR-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(3-4-7)5(8)6(9)10-2/h5H,3-4,8H2,1-2H3/t5-/m1/s1.
What are the key properties of methyl (2S)-2-amino-2-(1-methylcyclopropyl)acetate?
methyl (2S)-2-amino-2-(1-methylcyclopropyl)acetate has a molecular weight of 143.19 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-2-(1-methylcyclopropyl)acetate is sourced from PubChem (CID 156751440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).