(2R)-N-benzylazetidine-2-carboxamide;hydrochloride

C11H15ClN2O — CID 130891385

IUPAC(2R)-N-benzylazetidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1)[C@H]1CCN1
InChIInChI=1S/C11H14N2O.ClH/c14-11(10-6-7-12-10)13-8-9-4-2-1-3-5-9;/h1-5,10,12H,6-8H2,(H,13,14);1H/t10-;/m1./s1
InChIKeyXNDJXVUISHLGLY-HNCPQSOCSA-N
MW226.71 g/mol
LogP1.09
Rot. Bonds3

About (2R)-N-benzylazetidine-2-carboxamide;hydrochloride

(2R)-N-benzylazetidine-2-carboxamide;hydrochloride (PubChem CID 130891385) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is (2R)-N-benzylazetidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-benzylazetidine-2-carboxamide;hydrochloride
PubChem CID130891385
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name(2R)-N-benzylazetidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1)[C@H]1CCN1
InChIInChI=1S/C11H14N2O.ClH/c14-11(10-6-7-12-10)13-8-9-4-2-1-3-5-9;/h1-5,10,12H,6-8H2,(H,13,14);1H/t10-;/m1./s1
InChIKeyXNDJXVUISHLGLY-HNCPQSOCSA-N
XLogP1.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[3-(benzylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
CID 119310942
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
N-[(4-cyanophenyl)methyl]azetidine-2-carboxamide
CID 18670937
[4-[[[(2S)-azetidine-2-carbonyl]amino]methyl]benzenecarboximidoyl]-benzylcarbamic acid;hydrochloride
CID 167431213
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
4-[(pyrrolidine-2-carbonylamino)methyl]benzoic acid
CID 61156861
N-benzylpiperidine-4-carboxamide
CID 3868064
benzyl N-[4-[[[(2S)-azetidine-2-carbonyl]amino]methyl]benzenecarboximidoyl]carbamate;hydrochloride
CID 156750733
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
4-[[[(2S)-piperidine-2-carbonyl]amino]methyl]benzoic acid
CID 103869345

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzylazetidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-N-benzylazetidine-2-carboxamide;hydrochloride (CID 130891385) is (2R)-N-benzylazetidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-N-benzylazetidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-N-benzylazetidine-2-carboxamide;hydrochloride is Cl.O=C(NCc1ccccc1)[C@H]1CCN1.
What is the InChIKey of (2R)-N-benzylazetidine-2-carboxamide;hydrochloride?
The InChIKey is XNDJXVUISHLGLY-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H14N2O.ClH/c14-11(10-6-7-12-10)13-8-9-4-2-1-3-5-9;/h1-5,10,12H,6-8H2,(H,13,14);1H/t10-;/m1./s1.
What are the key properties of (2R)-N-benzylazetidine-2-carboxamide;hydrochloride?
(2R)-N-benzylazetidine-2-carboxamide;hydrochloride has a molecular weight of 226.71 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzylazetidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 130891385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).