methyl 2-[2-(4-bromophenoxy)propanoyl-propan-2-ylamino]acetate

C15H20BrNO4 — CID 60765971

IUPACmethyl 2-[2-(4-bromophenoxy)propanoyl-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)C(C)Oc1ccc(Br)cc1)C(C)C
InChIInChI=1S/C15H20BrNO4/c1-10(2)17(9-14(18)20-4)15(19)11(3)21-13-7-5-12(16)6-8-13/h5-8,10-11H,9H2,1-4H3
InChIKeyJNIHGZZMIGLZNE-UHFFFAOYSA-N
MW358.23 g/mol
LogP2.63
Rot. Bonds6

About methyl 2-[2-(4-bromophenoxy)propanoyl-propan-2-ylamino]acetate

methyl 2-[2-(4-bromophenoxy)propanoyl-propan-2-ylamino]acetate (PubChem CID 60765971) has the molecular formula C15H20BrNO4 and a molecular weight of 358.23 g/mol. Its IUPAC name is methyl 2-[2-(4-bromophenoxy)propanoyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-bromophenoxy)propanoyl-propan-2-ylamino]acetate
PubChem CID60765971
Molecular FormulaC15H20BrNO4
Molecular Weight358.23 g/mol
Exact Mass357.06
IUPAC Namemethyl 2-[2-(4-bromophenoxy)propanoyl-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)C(C)Oc1ccc(Br)cc1)C(C)C
InChIInChI=1S/C15H20BrNO4/c1-10(2)17(9-14(18)20-4)15(19)11(3)21-13-7-5-12(16)6-8-13/h5-8,10-11H,9H2,1-4H3
InChIKeyJNIHGZZMIGLZNE-UHFFFAOYSA-N
XLogP2.63
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-bromophenoxy)propanoyl-propan-2-ylamino]acetic acid
CID 60831884
methyl 2-[ethyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetate
CID 61383641
ethyl 2-[2-(4-bromophenoxy)propanoyl-ethylamino]acetate
CID 61012258
methyl 2-[2-(2-cyanophenoxy)propanoyl-propan-2-ylamino]acetate
CID 78884771
N-(1-aminopropan-2-yl)-2-(4-bromophenoxy)-N-methylpropanamide
CID 119584955
methyl 2-[[(2R)-2-amino-2-phenylacetyl]-propan-2-ylamino]acetate
CID 61164332
methyl 2-[[2-[4-(difluoromethoxy)phenyl]acetyl]-propan-2-ylamino]acetate
CID 78884783
(2R)-2-(4-bromophenoxy)propanamide
CID 974910
4-[2-(4-bromophenoxy)propanoyl-methylamino]butanoic acid
CID 43240368
methyl 2-[(2-bromofuran-3-carbonyl)-propan-2-ylamino]acetate
CID 106853479
2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43083158
3-[4-(4-bromophenyl)phenoxy]butan-2-one
CID 62033260

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-bromophenoxy)propanoyl-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[2-(4-bromophenoxy)propanoyl-propan-2-ylamino]acetate (CID 60765971) is methyl 2-[2-(4-bromophenoxy)propanoyl-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[2-(4-bromophenoxy)propanoyl-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[2-(4-bromophenoxy)propanoyl-propan-2-ylamino]acetate is COC(=O)CN(C(=O)C(C)Oc1ccc(Br)cc1)C(C)C.
What is the InChIKey of methyl 2-[2-(4-bromophenoxy)propanoyl-propan-2-ylamino]acetate?
The InChIKey is JNIHGZZMIGLZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO4/c1-10(2)17(9-14(18)20-4)15(19)11(3)21-13-7-5-12(16)6-8-13/h5-8,10-11H,9H2,1-4H3.
What are the key properties of methyl 2-[2-(4-bromophenoxy)propanoyl-propan-2-ylamino]acetate?
methyl 2-[2-(4-bromophenoxy)propanoyl-propan-2-ylamino]acetate has a molecular weight of 358.23 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-bromophenoxy)propanoyl-propan-2-ylamino]acetate is sourced from PubChem (CID 60765971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).