methyl 2-[methyl-[(1-phenylcyclopropyl)carbamoyl]amino]acetate

C14H18N2O3 — CID 110490764

IUPACmethyl 2-[methyl-[(1-phenylcyclopropyl)carbamoyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C14H18N2O3/c1-16(10-12(17)19-2)13(18)15-14(8-9-14)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,18)
InChIKeyALLVILUDKWXZOR-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.49
Rot. Bonds4

About methyl 2-[methyl-[(1-phenylcyclopropyl)carbamoyl]amino]acetate

methyl 2-[methyl-[(1-phenylcyclopropyl)carbamoyl]amino]acetate (PubChem CID 110490764) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 2-[methyl-[(1-phenylcyclopropyl)carbamoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(1-phenylcyclopropyl)carbamoyl]amino]acetate
PubChem CID110490764
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 2-[methyl-[(1-phenylcyclopropyl)carbamoyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)NC1(c2ccccc2)CC1
InChIInChI=1S/C14H18N2O3/c1-16(10-12(17)19-2)13(18)15-14(8-9-14)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,18)
InChIKeyALLVILUDKWXZOR-UHFFFAOYSA-N
XLogP1.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(1-phenylcyclopropyl)carbamoyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[(1-phenylcyclopropyl)carbamoyl]amino]acetate (CID 110490764) is methyl 2-[methyl-[(1-phenylcyclopropyl)carbamoyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[(1-phenylcyclopropyl)carbamoyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[(1-phenylcyclopropyl)carbamoyl]amino]acetate is COC(=O)CN(C)C(=O)NC1(c2ccccc2)CC1.
What is the InChIKey of methyl 2-[methyl-[(1-phenylcyclopropyl)carbamoyl]amino]acetate?
The InChIKey is ALLVILUDKWXZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16(10-12(17)19-2)13(18)15-14(8-9-14)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,18).
What are the key properties of methyl 2-[methyl-[(1-phenylcyclopropyl)carbamoyl]amino]acetate?
methyl 2-[methyl-[(1-phenylcyclopropyl)carbamoyl]amino]acetate has a molecular weight of 262.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(1-phenylcyclopropyl)carbamoyl]amino]acetate is sourced from PubChem (CID 110490764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).