methyl 1-(2-amino-3-phenylpropanoyl)azetidine-3-carboxylate;hydrochloride

C14H19ClN2O3 — CID 70099178

IUPACmethyl 1-(2-amino-3-phenylpropanoyl)azetidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CN(C(=O)C(N)Cc2ccccc2)C1.Cl
InChIInChI=1S/C14H18N2O3.ClH/c1-19-14(18)11-8-16(9-11)13(17)12(15)7-10-5-3-2-4-6-10;/h2-6,11-12H,7-9,15H2,1H3;1H
InChIKeyLGFCCKIEZYHLBY-UHFFFAOYSA-N
MW298.77 g/mol
LogP0.61
Rot. Bonds4

About methyl 1-(2-amino-3-phenylpropanoyl)azetidine-3-carboxylate;hydrochloride

methyl 1-(2-amino-3-phenylpropanoyl)azetidine-3-carboxylate;hydrochloride (PubChem CID 70099178) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is methyl 1-(2-amino-3-phenylpropanoyl)azetidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-(2-amino-3-phenylpropanoyl)azetidine-3-carboxylate;hydrochloride
PubChem CID70099178
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Namemethyl 1-(2-amino-3-phenylpropanoyl)azetidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CN(C(=O)C(N)Cc2ccccc2)C1.Cl
InChIInChI=1S/C14H18N2O3.ClH/c1-19-14(18)11-8-16(9-11)13(17)12(15)7-10-5-3-2-4-6-10;/h2-6,11-12H,7-9,15H2,1H3;1H
InChIKeyLGFCCKIEZYHLBY-UHFFFAOYSA-N
XLogP0.61
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 103533196
2-amino-1-(3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 22610288
2-amino-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 57096305
(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 103532839
(2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61148531
(2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one
CID 124590633
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
(2R)-2-amino-1-[(2R,6S)-2-ethyl-6-methylmorpholin-4-yl]-3-phenylpropan-1-one
CID 125133936
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate
CID 61163138
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
1-(2-amino-3-phenylpropanoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 119289778

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-amino-3-phenylpropanoyl)azetidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 1-(2-amino-3-phenylpropanoyl)azetidine-3-carboxylate;hydrochloride (CID 70099178) is methyl 1-(2-amino-3-phenylpropanoyl)azetidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-(2-amino-3-phenylpropanoyl)azetidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-(2-amino-3-phenylpropanoyl)azetidine-3-carboxylate;hydrochloride is COC(=O)C1CN(C(=O)C(N)Cc2ccccc2)C1.Cl.
What is the InChIKey of methyl 1-(2-amino-3-phenylpropanoyl)azetidine-3-carboxylate;hydrochloride?
The InChIKey is LGFCCKIEZYHLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3.ClH/c1-19-14(18)11-8-16(9-11)13(17)12(15)7-10-5-3-2-4-6-10;/h2-6,11-12H,7-9,15H2,1H3;1H.
What are the key properties of methyl 1-(2-amino-3-phenylpropanoyl)azetidine-3-carboxylate;hydrochloride?
methyl 1-(2-amino-3-phenylpropanoyl)azetidine-3-carboxylate;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-amino-3-phenylpropanoyl)azetidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 70099178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).