ethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride

C11H21ClN2O3 — CID 119290932

IUPACethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride
SMILESCCOC(=O)CCCNC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C11H20N2O3.ClH/c1-2-16-10(14)6-4-8-13-11(15)9-5-3-7-12-9;/h9,12H,2-8H2,1H3,(H,13,15);1H/t9-;/m0./s1
InChIKeyBOYDDULBSCHCKZ-FVGYRXGTSA-N
MW264.75 g/mol
LogP0.62
Rot. Bonds6

About ethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride

ethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride (PubChem CID 119290932) has the molecular formula C11H21ClN2O3 and a molecular weight of 264.75 g/mol. Its IUPAC name is ethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride
PubChem CID119290932
Molecular FormulaC11H21ClN2O3
Molecular Weight264.75 g/mol
Exact Mass264.12
IUPAC Nameethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride
SMILESCCOC(=O)CCCNC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C11H20N2O3.ClH/c1-2-16-10(14)6-4-8-13-11(15)9-5-3-7-12-9;/h9,12H,2-8H2,1H3,(H,13,15);1H/t9-;/m0./s1
InChIKeyBOYDDULBSCHCKZ-FVGYRXGTSA-N
XLogP0.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 4-(piperidine-2-carbonylamino)butanoate;hydrochloride
CID 119290922
ethyl 4-[[(2S)-piperidine-2-carbonyl]amino]butanoate
CID 103809125
ethyl 3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
CID 103794893
N-[4-(dimethylamino)-4-oxobutyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119303011
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
methyl 4-(azepane-2-carbonylamino)butanoate
CID 64562876
N-propylpyrrolidine-2-carboxamide
CID 4984185
N-(2-ethoxyethyl)pyrrolidine-2-carboxamide
CID 43591374
N-(3-ethoxypropyl)azepane-2-carboxamide
CID 64562798
N-(3-ethoxypropyl)azocane-2-carboxamide
CID 114240040
(2S)-N-[3-(dipropylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081502
N-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119318990

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride?
The IUPAC name of ethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride (CID 119290932) is ethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride.
What is the SMILES notation for ethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride?
The canonical SMILES for ethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride is CCOC(=O)CCCNC(=O)[C@@H]1CCCN1.Cl.
What is the InChIKey of ethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride?
The InChIKey is BOYDDULBSCHCKZ-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H20N2O3.ClH/c1-2-16-10(14)6-4-8-13-11(15)9-5-3-7-12-9;/h9,12H,2-8H2,1H3,(H,13,15);1H/t9-;/m0./s1.
What are the key properties of ethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride?
ethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride has a molecular weight of 264.75 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride is sourced from PubChem (CID 119290932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).