methyl 2-oxo-2-[(2-phenylcyclopropyl)amino]acetate

C12H13NO3 — CID 112617050

IUPACmethyl 2-oxo-2-[(2-phenylcyclopropyl)amino]acetate
SMILESCOC(=O)C(=O)NC1CC1c1ccccc1
InChIInChI=1S/C12H13NO3/c1-16-12(15)11(14)13-10-7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3,(H,13,14)
InChIKeyHCGSRUJTBAWDBV-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.83
Rot. Bonds2

About methyl 2-oxo-2-[(2-phenylcyclopropyl)amino]acetate

methyl 2-oxo-2-[(2-phenylcyclopropyl)amino]acetate (PubChem CID 112617050) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 2-oxo-2-[(2-phenylcyclopropyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-oxo-2-[(2-phenylcyclopropyl)amino]acetate
PubChem CID112617050
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Namemethyl 2-oxo-2-[(2-phenylcyclopropyl)amino]acetate
SMILESCOC(=O)C(=O)NC1CC1c1ccccc1
InChIInChI=1S/C12H13NO3/c1-16-12(15)11(14)13-10-7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3,(H,13,14)
InChIKeyHCGSRUJTBAWDBV-UHFFFAOYSA-N
XLogP0.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]carbamate;carbonic acid
CID 70980362
2-methyl-3-oxo-3-[(2-phenylcyclopropyl)amino]propanoic acid
CID 114898248
(2S)-2-amino-N-(2-phenylcyclopropyl)propanamide
CID 78977151
2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide
CID 118334207
2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 92859467
2-amino-2-methyl-N-(2-phenylcyclopropyl)propanamide;hydrochloride
CID 119281635
3-methoxy-2-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 81085981
2-amino-N-(2-phenylcyclopropyl)cyclopropane-1-carboxamide
CID 114995959
2-hydroxyethyl N-(2-phenylcyclopropyl)carbamate
CID 79348552

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-2-[(2-phenylcyclopropyl)amino]acetate?
The IUPAC name of methyl 2-oxo-2-[(2-phenylcyclopropyl)amino]acetate (CID 112617050) is methyl 2-oxo-2-[(2-phenylcyclopropyl)amino]acetate.
What is the SMILES notation for methyl 2-oxo-2-[(2-phenylcyclopropyl)amino]acetate?
The canonical SMILES for methyl 2-oxo-2-[(2-phenylcyclopropyl)amino]acetate is COC(=O)C(=O)NC1CC1c1ccccc1.
What is the InChIKey of methyl 2-oxo-2-[(2-phenylcyclopropyl)amino]acetate?
The InChIKey is HCGSRUJTBAWDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-16-12(15)11(14)13-10-7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3,(H,13,14).
What are the key properties of methyl 2-oxo-2-[(2-phenylcyclopropyl)amino]acetate?
methyl 2-oxo-2-[(2-phenylcyclopropyl)amino]acetate has a molecular weight of 219.24 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-2-[(2-phenylcyclopropyl)amino]acetate is sourced from PubChem (CID 112617050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).