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

C15H21ClN2O3 — CID 119707961

IUPACmethyl 2-phenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]acetate;hydrochloride
SMILESCOC(=O)C(NC(=O)CC1CCCN1)c1ccccc1.Cl
InChIInChI=1S/C15H20N2O3.ClH/c1-20-15(19)14(11-6-3-2-4-7-11)17-13(18)10-12-8-5-9-16-12;/h2-4,6-7,12,14,16H,5,8-10H2,1H3,(H,17,18);1H
InChIKeyRBCMZIMGFMFLEC-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.58
Rot. Bonds5

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

methyl 2-phenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]acetate;hydrochloride (PubChem CID 119707961) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is methyl 2-phenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-phenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]acetate;hydrochloride
PubChem CID119707961
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Namemethyl 2-phenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]acetate;hydrochloride
SMILESCOC(=O)C(NC(=O)CC1CCCN1)c1ccccc1.Cl
InChIInChI=1S/C15H20N2O3.ClH/c1-20-15(19)14(11-6-3-2-4-7-11)17-13(18)10-12-8-5-9-16-12;/h2-4,6-7,12,14,16H,5,8-10H2,1H3,(H,17,18);1H
InChIKeyRBCMZIMGFMFLEC-UHFFFAOYSA-N
XLogP1.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-3-phenyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoate
CID 119818568
methyl (2S)-2-[[2-[(2S)-2-aminocyclohexyl]acetyl]amino]-2-phenylacetate;hydrochloride
CID 142643266
N-(2-phenoxy-1-phenylethyl)-2-pyrrolidin-2-ylacetamide
CID 119779882
N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrrolidin-2-ylacetamide
CID 114010293
methyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride
CID 119781300
2-phenyl-N-(1H-pyrazol-5-yl)-2-[(2-pyrrolidin-2-ylacetyl)amino]acetamide;dihydrochloride
CID 119878715
methyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate
CID 107068110
N-[1-(4-phenylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119685566
methyl 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-2-phenylacetate
CID 6737217
methyl (2S,3S)-3-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoate;hydrochloride
CID 119748439
N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 66195074
N-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide
CID 61365271

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]acetate;hydrochloride?
The IUPAC name of methyl 2-phenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]acetate;hydrochloride (CID 119707961) is methyl 2-phenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]acetate;hydrochloride.
What is the SMILES notation for methyl 2-phenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]acetate;hydrochloride?
The canonical SMILES for methyl 2-phenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]acetate;hydrochloride is COC(=O)C(NC(=O)CC1CCCN1)c1ccccc1.Cl.
What is the InChIKey of methyl 2-phenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]acetate;hydrochloride?
The InChIKey is RBCMZIMGFMFLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3.ClH/c1-20-15(19)14(11-6-3-2-4-7-11)17-13(18)10-12-8-5-9-16-12;/h2-4,6-7,12,14,16H,5,8-10H2,1H3,(H,17,18);1H.
What are the key properties of methyl 2-phenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]acetate;hydrochloride?
methyl 2-phenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]acetate;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]acetate;hydrochloride is sourced from PubChem (CID 119707961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).