2-(2-phenyliminopyrrolidin-1-yl)acetic acid;hydrochloride

C12H15ClN2O2 — CID 3021820

IUPAC2-(2-phenyliminopyrrolidin-1-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CN1CCC/C1=N\c1ccccc1
InChIInChI=1S/C12H14N2O2.ClH/c15-12(16)9-14-8-4-7-11(14)13-10-5-2-1-3-6-10;/h1-3,5-6H,4,7-9H2,(H,15,16);1H/b13-11+;
InChIKeyIMIAXTSRFVAGPI-BNSHTTSQSA-N
MW254.72 g/mol
LogP2.32
Rot. Bonds3

About 2-(2-phenyliminopyrrolidin-1-yl)acetic acid;hydrochloride

2-(2-phenyliminopyrrolidin-1-yl)acetic acid;hydrochloride (PubChem CID 3021820) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-(2-phenyliminopyrrolidin-1-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(2-phenyliminopyrrolidin-1-yl)acetic acid;hydrochloride
PubChem CID3021820
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-(2-phenyliminopyrrolidin-1-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CN1CCC/C1=N\c1ccccc1
InChIInChI=1S/C12H14N2O2.ClH/c15-12(16)9-14-8-4-7-11(14)13-10-5-2-1-3-6-10;/h1-3,5-6H,4,7-9H2,(H,15,16);1H/b13-11+;
InChIKeyIMIAXTSRFVAGPI-BNSHTTSQSA-N
XLogP2.32
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(2-phenyliminopyrrolidin-1-yl)acetic acid;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

2-[(2E)-2-carbamoyliminopyrrolidin-1-yl]acetic acid
CID 6394483
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331
2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)acetic acid
CID 119994270
methyl 2-[(E)-(2-phenyliminopyrrolidin-1-yl)methylideneamino]oxyacetate
CID 21310233
2-(2-oxo-3-phenyl-1,3-diazinan-1-yl)acetic acid
CID 43831623
(1Z)-1-[1-(2-oxopropyl)pyrrolidin-2-ylidene]-3-phenylthiourea
CID 21203743
2-(6-hydroxy-1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl)acetic acid
CID 115040649
2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetic acid
CID 54461030
2-[(2Z)-2-carbamoyliminopyrrolidin-1-yl]acetamide;hydrochloride
CID 6448817
tert-butyl 2-(4-benzylphenyl)iminopyrrolidine-1-carboxylate
CID 59637372
2-(2-oxo-3-phenylpiperidin-1-yl)acetic acid
CID 67358702
2-(3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl)acetic acid
CID 70231632

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyliminopyrrolidin-1-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(2-phenyliminopyrrolidin-1-yl)acetic acid;hydrochloride (CID 3021820) is 2-(2-phenyliminopyrrolidin-1-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(2-phenyliminopyrrolidin-1-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(2-phenyliminopyrrolidin-1-yl)acetic acid;hydrochloride is Cl.O=C(O)CN1CCC/C1=N\c1ccccc1.
What is the InChIKey of 2-(2-phenyliminopyrrolidin-1-yl)acetic acid;hydrochloride?
The InChIKey is IMIAXTSRFVAGPI-BNSHTTSQSA-N. The full InChI is InChI=1S/C12H14N2O2.ClH/c15-12(16)9-14-8-4-7-11(14)13-10-5-2-1-3-6-10;/h1-3,5-6H,4,7-9H2,(H,15,16);1H/b13-11+;.
What are the key properties of 2-(2-phenyliminopyrrolidin-1-yl)acetic acid;hydrochloride?
2-(2-phenyliminopyrrolidin-1-yl)acetic acid;hydrochloride has a molecular weight of 254.72 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyliminopyrrolidin-1-yl)acetic acid;hydrochloride is sourced from PubChem (CID 3021820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).