ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride

C9H17ClN2O3 — CID 119279993

IUPACethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride
SMILESCCOC(=O)CNC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C9H16N2O3.ClH/c1-2-14-8(12)6-11-9(13)7-4-3-5-10-7;/h7,10H,2-6H2,1H3,(H,11,13);1H/t7-;/m0./s1
InChIKeyZKACKLJHNJYGHC-FJXQXJEOSA-N
MW236.70 g/mol
LogP-0.16
Rot. Bonds4

About ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride

ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride (PubChem CID 119279993) has the molecular formula C9H17ClN2O3 and a molecular weight of 236.70 g/mol. Its IUPAC name is ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride
PubChem CID119279993
Molecular FormulaC9H17ClN2O3
Molecular Weight236.70 g/mol
Exact Mass236.09
IUPAC Nameethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride
SMILESCCOC(=O)CNC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C9H16N2O3.ClH/c1-2-14-8(12)6-11-9(13)7-4-3-5-10-7;/h7,10H,2-6H2,1H3,(H,11,13);1H/t7-;/m0./s1
InChIKeyZKACKLJHNJYGHC-FJXQXJEOSA-N
XLogP-0.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride 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 ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride?
The IUPAC name of ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride (CID 119279993) is ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride.
What is the SMILES notation for ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride?
The canonical SMILES for ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride is CCOC(=O)CNC(=O)[C@@H]1CCCN1.Cl.
What is the InChIKey of ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride?
The InChIKey is ZKACKLJHNJYGHC-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H16N2O3.ClH/c1-2-14-8(12)6-11-9(13)7-4-3-5-10-7;/h7,10H,2-6H2,1H3,(H,11,13);1H/t7-;/m0./s1.
What are the key properties of ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride?
ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride has a molecular weight of 236.70 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride is sourced from PubChem (CID 119279993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).