methyl 2-[[4-[(2-pyrrolidin-2-ylacetyl)amino]benzoyl]amino]acetate;hydrochloride

C16H22ClN3O4 — CID 119692977

IUPACmethyl 2-[[4-[(2-pyrrolidin-2-ylacetyl)amino]benzoyl]amino]acetate;hydrochloride
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)CC2CCCN2)cc1.Cl
InChIInChI=1S/C16H21N3O4.ClH/c1-23-15(21)10-18-16(22)11-4-6-12(7-5-11)19-14(20)9-13-3-2-8-17-13;/h4-7,13,17H,2-3,8-10H2,1H3,(H,18,22)(H,19,20);1H
InChIKeyMBCLORQJXAQRRG-UHFFFAOYSA-N
MW355.82 g/mol
LogP1.09
Rot. Bonds6

About methyl 2-[[4-[(2-pyrrolidin-2-ylacetyl)amino]benzoyl]amino]acetate;hydrochloride

methyl 2-[[4-[(2-pyrrolidin-2-ylacetyl)amino]benzoyl]amino]acetate;hydrochloride (PubChem CID 119692977) has the molecular formula C16H22ClN3O4 and a molecular weight of 355.82 g/mol. Its IUPAC name is methyl 2-[[4-[(2-pyrrolidin-2-ylacetyl)amino]benzoyl]amino]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[[4-[(2-pyrrolidin-2-ylacetyl)amino]benzoyl]amino]acetate;hydrochloride
PubChem CID119692977
Molecular FormulaC16H22ClN3O4
Molecular Weight355.82 g/mol
Exact Mass355.13
IUPAC Namemethyl 2-[[4-[(2-pyrrolidin-2-ylacetyl)amino]benzoyl]amino]acetate;hydrochloride
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)CC2CCCN2)cc1.Cl
InChIInChI=1S/C16H21N3O4.ClH/c1-23-15(21)10-18-16(22)11-4-6-12(7-5-11)19-14(20)9-13-3-2-8-17-13;/h4-7,13,17H,2-3,8-10H2,1H3,(H,18,22)(H,19,20);1H
InChIKeyMBCLORQJXAQRRG-UHFFFAOYSA-N
XLogP1.09
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119740098
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119756453
N-[4-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61366412
N-[(2-fluorophenyl)methyl]-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119718420
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
N-(4-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670724
dimethyl 5-[(2-pyrrolidin-2-ylacetyl)amino]benzene-1,3-dicarboxylate;hydrochloride
CID 119673725
N-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119711145
N,N-bis(prop-2-enyl)-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119739199
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119719041

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(2-pyrrolidin-2-ylacetyl)amino]benzoyl]amino]acetate;hydrochloride?
The IUPAC name of methyl 2-[[4-[(2-pyrrolidin-2-ylacetyl)amino]benzoyl]amino]acetate;hydrochloride (CID 119692977) is methyl 2-[[4-[(2-pyrrolidin-2-ylacetyl)amino]benzoyl]amino]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[[4-[(2-pyrrolidin-2-ylacetyl)amino]benzoyl]amino]acetate;hydrochloride?
The canonical SMILES for methyl 2-[[4-[(2-pyrrolidin-2-ylacetyl)amino]benzoyl]amino]acetate;hydrochloride is COC(=O)CNC(=O)c1ccc(NC(=O)CC2CCCN2)cc1.Cl.
What is the InChIKey of methyl 2-[[4-[(2-pyrrolidin-2-ylacetyl)amino]benzoyl]amino]acetate;hydrochloride?
The InChIKey is MBCLORQJXAQRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4.ClH/c1-23-15(21)10-18-16(22)11-4-6-12(7-5-11)19-14(20)9-13-3-2-8-17-13;/h4-7,13,17H,2-3,8-10H2,1H3,(H,18,22)(H,19,20);1H.
What are the key properties of methyl 2-[[4-[(2-pyrrolidin-2-ylacetyl)amino]benzoyl]amino]acetate;hydrochloride?
methyl 2-[[4-[(2-pyrrolidin-2-ylacetyl)amino]benzoyl]amino]acetate;hydrochloride has a molecular weight of 355.82 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(2-pyrrolidin-2-ylacetyl)amino]benzoyl]amino]acetate;hydrochloride is sourced from PubChem (CID 119692977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).