methyl (2R)-2-phenyl-2-[[1-(2-pyridin-2-ylethyl)aziridine-2-carbonyl]amino]acetate

C19H21N3O3 — CID 74225639

IUPACmethyl (2R)-2-phenyl-2-[[1-(2-pyridin-2-ylethyl)aziridine-2-carbonyl]amino]acetate
SMILESCOC(=O)[C@H](NC(=O)C1CN1CCc1ccccn1)c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-25-19(24)17(14-7-3-2-4-8-14)21-18(23)16-13-22(16)12-10-15-9-5-6-11-20-15/h2-9,11,16-17H,10,12-13H2,1H3,(H,21,23)/t16?,17-,22?/m1/s1
InChIKeySNTOZAVYSLPUPD-PSCUFVCCSA-N
MW339.40 g/mol
LogP1.34
Rot. Bonds7

About methyl (2R)-2-phenyl-2-[[1-(2-pyridin-2-ylethyl)aziridine-2-carbonyl]amino]acetate

methyl (2R)-2-phenyl-2-[[1-(2-pyridin-2-ylethyl)aziridine-2-carbonyl]amino]acetate (PubChem CID 74225639) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is methyl (2R)-2-phenyl-2-[[1-(2-pyridin-2-ylethyl)aziridine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-phenyl-2-[[1-(2-pyridin-2-ylethyl)aziridine-2-carbonyl]amino]acetate
PubChem CID74225639
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Namemethyl (2R)-2-phenyl-2-[[1-(2-pyridin-2-ylethyl)aziridine-2-carbonyl]amino]acetate
SMILESCOC(=O)[C@H](NC(=O)C1CN1CCc1ccccn1)c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-25-19(24)17(14-7-3-2-4-8-14)21-18(23)16-13-22(16)12-10-15-9-5-6-11-20-15/h2-9,11,16-17H,10,12-13H2,1H3,(H,21,23)/t16?,17-,22?/m1/s1
InChIKeySNTOZAVYSLPUPD-PSCUFVCCSA-N
XLogP1.34
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

methyl 2-phenyl-2-[(2-pyridin-2-ylacetyl)amino]acetate
CID 62110186
methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate
CID 60647783
methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate
CID 94335033
methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]acetate
CID 52943483
2-[[(3R,5S)-3,5-bis[(2-methoxy-2-oxo-1-phenylethyl)carbamoyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid
CID 122202039
methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate
CID 102268915
N-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 47027276
methyl (2S)-2-phenyl-2-(pyrimidin-2-ylamino)acetate
CID 94357367
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate
CID 104742175
(3S)-2-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 104896004
methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
CID 60648150
1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone
CID 63845672

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-phenyl-2-[[1-(2-pyridin-2-ylethyl)aziridine-2-carbonyl]amino]acetate?
The IUPAC name of methyl (2R)-2-phenyl-2-[[1-(2-pyridin-2-ylethyl)aziridine-2-carbonyl]amino]acetate (CID 74225639) is methyl (2R)-2-phenyl-2-[[1-(2-pyridin-2-ylethyl)aziridine-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl (2R)-2-phenyl-2-[[1-(2-pyridin-2-ylethyl)aziridine-2-carbonyl]amino]acetate?
The canonical SMILES for methyl (2R)-2-phenyl-2-[[1-(2-pyridin-2-ylethyl)aziridine-2-carbonyl]amino]acetate is COC(=O)[C@H](NC(=O)C1CN1CCc1ccccn1)c1ccccc1.
What is the InChIKey of methyl (2R)-2-phenyl-2-[[1-(2-pyridin-2-ylethyl)aziridine-2-carbonyl]amino]acetate?
The InChIKey is SNTOZAVYSLPUPD-PSCUFVCCSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-25-19(24)17(14-7-3-2-4-8-14)21-18(23)16-13-22(16)12-10-15-9-5-6-11-20-15/h2-9,11,16-17H,10,12-13H2,1H3,(H,21,23)/t16?,17-,22?/m1/s1.
What are the key properties of methyl (2R)-2-phenyl-2-[[1-(2-pyridin-2-ylethyl)aziridine-2-carbonyl]amino]acetate?
methyl (2R)-2-phenyl-2-[[1-(2-pyridin-2-ylethyl)aziridine-2-carbonyl]amino]acetate has a molecular weight of 339.40 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-phenyl-2-[[1-(2-pyridin-2-ylethyl)aziridine-2-carbonyl]amino]acetate is sourced from PubChem (CID 74225639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).