methyl 2-[[(1R,3S)-3-aminocyclopentyl]methylamino]acetate

C9H18N2O2 — CID 165443865

IUPACmethyl 2-[[(1R,3S)-3-aminocyclopentyl]methylamino]acetate
SMILESCOC(=O)CNC[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C9H18N2O2/c1-13-9(12)6-11-5-7-2-3-8(10)4-7/h7-8,11H,2-6,10H2,1H3/t7-,8+/m1/s1
InChIKeyLRKLQQLSQABPLJ-SFYZADRCSA-N
MW186.25 g/mol
LogP-0.12
Rot. Bonds4

About methyl 2-[[(1R,3S)-3-aminocyclopentyl]methylamino]acetate

methyl 2-[[(1R,3S)-3-aminocyclopentyl]methylamino]acetate (PubChem CID 165443865) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 2-[[(1R,3S)-3-aminocyclopentyl]methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(1R,3S)-3-aminocyclopentyl]methylamino]acetate
PubChem CID165443865
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl 2-[[(1R,3S)-3-aminocyclopentyl]methylamino]acetate
SMILESCOC(=O)CNC[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C9H18N2O2/c1-13-9(12)6-11-5-7-2-3-8(10)4-7/h7-8,11H,2-6,10H2,1H3/t7-,8+/m1/s1
InChIKeyLRKLQQLSQABPLJ-SFYZADRCSA-N
XLogP-0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[(1R,3S)-3-aminocyclopentyl]methylamino]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 2-[[(1R,3S)-3-aminocyclopentyl]methylamino]acetate?
The IUPAC name of methyl 2-[[(1R,3S)-3-aminocyclopentyl]methylamino]acetate (CID 165443865) is methyl 2-[[(1R,3S)-3-aminocyclopentyl]methylamino]acetate.
What is the SMILES notation for methyl 2-[[(1R,3S)-3-aminocyclopentyl]methylamino]acetate?
The canonical SMILES for methyl 2-[[(1R,3S)-3-aminocyclopentyl]methylamino]acetate is COC(=O)CNC[C@@H]1CC[C@H](N)C1.
What is the InChIKey of methyl 2-[[(1R,3S)-3-aminocyclopentyl]methylamino]acetate?
The InChIKey is LRKLQQLSQABPLJ-SFYZADRCSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-13-9(12)6-11-5-7-2-3-8(10)4-7/h7-8,11H,2-6,10H2,1H3/t7-,8+/m1/s1.
What are the key properties of methyl 2-[[(1R,3S)-3-aminocyclopentyl]methylamino]acetate?
methyl 2-[[(1R,3S)-3-aminocyclopentyl]methylamino]acetate has a molecular weight of 186.25 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(1R,3S)-3-aminocyclopentyl]methylamino]acetate is sourced from PubChem (CID 165443865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).