methyl 2-[[(1S,2S)-2-(benzhydrylideneamino)cyclopropanecarbonyl]amino]acetate

C20H20N2O3 — CID 102440162

IUPACmethyl 2-[[(1S,2S)-2-(benzhydrylideneamino)cyclopropanecarbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@H]1C[C@@H]1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20N2O3/c1-25-18(23)13-21-20(24)16-12-17(16)22-19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3,(H,21,24)/t16-,17-/m0/s1
InChIKeyQYXZOQSPGAXBKP-IRXDYDNUSA-N
MW336.39 g/mol
LogP2.20
Rot. Bonds6

About methyl 2-[[(1S,2S)-2-(benzhydrylideneamino)cyclopropanecarbonyl]amino]acetate

methyl 2-[[(1S,2S)-2-(benzhydrylideneamino)cyclopropanecarbonyl]amino]acetate (PubChem CID 102440162) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is methyl 2-[[(1S,2S)-2-(benzhydrylideneamino)cyclopropanecarbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(1S,2S)-2-(benzhydrylideneamino)cyclopropanecarbonyl]amino]acetate
PubChem CID102440162
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Namemethyl 2-[[(1S,2S)-2-(benzhydrylideneamino)cyclopropanecarbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@H]1C[C@@H]1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20N2O3/c1-25-18(23)13-21-20(24)16-12-17(16)22-19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3,(H,21,24)/t16-,17-/m0/s1
InChIKeyQYXZOQSPGAXBKP-IRXDYDNUSA-N
XLogP2.20
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-methylcyclopropanecarbonyl)amino]acetate
CID 43404745
2-methyl-N-phenacylcyclopropane-1-carboxamide
CID 64991605
methyl 2-[[(2S,3aR,7aR)-1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]acetate
CID 124776472
methyl 2-[1-(benzhydrylideneamino)-2-ethoxy-2-oxoethyl]cyclopropane-1-carboxylate
CID 15813496
methyl 2-[(2-benzoylbenzoyl)amino]acetate
CID 26586239
methyl 2-[(2-aminocyclopentanecarbonyl)amino]acetate
CID 64823371
methyl 2-[1-(benzhydrylideneamino)cyclopropyl]acetate
CID 14340053
(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate
CID 142124553
1-N,2-N-bis[2-[benzyl(methyl)amino]-2-oxoethyl]cyclopropane-1,2-dicarboxamide
CID 166187022
methyl 2-(3-phenylprop-2-ynoylamino)acetate
CID 17144567
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(1S,2S)-2-(benzhydrylideneamino)cyclopropanecarbonyl]amino]acetate?
The IUPAC name of methyl 2-[[(1S,2S)-2-(benzhydrylideneamino)cyclopropanecarbonyl]amino]acetate (CID 102440162) is methyl 2-[[(1S,2S)-2-(benzhydrylideneamino)cyclopropanecarbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(1S,2S)-2-(benzhydrylideneamino)cyclopropanecarbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[(1S,2S)-2-(benzhydrylideneamino)cyclopropanecarbonyl]amino]acetate is COC(=O)CNC(=O)[C@H]1C[C@@H]1N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-[[(1S,2S)-2-(benzhydrylideneamino)cyclopropanecarbonyl]amino]acetate?
The InChIKey is QYXZOQSPGAXBKP-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-25-18(23)13-21-20(24)16-12-17(16)22-19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3,(H,21,24)/t16-,17-/m0/s1.
What are the key properties of methyl 2-[[(1S,2S)-2-(benzhydrylideneamino)cyclopropanecarbonyl]amino]acetate?
methyl 2-[[(1S,2S)-2-(benzhydrylideneamino)cyclopropanecarbonyl]amino]acetate has a molecular weight of 336.39 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(1S,2S)-2-(benzhydrylideneamino)cyclopropanecarbonyl]amino]acetate is sourced from PubChem (CID 102440162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).