ethyl 2-[(5-bromopyridine-2-carbonyl)-propan-2-ylamino]acetate

C13H17BrN2O3 — CID 62958002

IUPACethyl 2-[(5-bromopyridine-2-carbonyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc(Br)cn1)C(C)C
InChIInChI=1S/C13H17BrN2O3/c1-4-19-12(17)8-16(9(2)3)13(18)11-6-5-10(14)7-15-11/h5-7,9H,4,8H2,1-3H3
InChIKeyAIZZLFDNDCJTNX-UHFFFAOYSA-N
MW329.19 g/mol
LogP2.26
Rot. Bonds5

About ethyl 2-[(5-bromopyridine-2-carbonyl)-propan-2-ylamino]acetate

ethyl 2-[(5-bromopyridine-2-carbonyl)-propan-2-ylamino]acetate (PubChem CID 62958002) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is ethyl 2-[(5-bromopyridine-2-carbonyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-bromopyridine-2-carbonyl)-propan-2-ylamino]acetate
PubChem CID62958002
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Nameethyl 2-[(5-bromopyridine-2-carbonyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc(Br)cn1)C(C)C
InChIInChI=1S/C13H17BrN2O3/c1-4-19-12(17)8-16(9(2)3)13(18)11-6-5-10(14)7-15-11/h5-7,9H,4,8H2,1-3H3
InChIKeyAIZZLFDNDCJTNX-UHFFFAOYSA-N
XLogP2.26
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[propan-2-yl(pyrazine-2-carbonyl)amino]acetate
CID 54901193
5-bromo-N-(2-bromoethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 80666509
methyl 2-[(5-aminopyridine-2-carbonyl)-propan-2-ylamino]acetate
CID 81315778
ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate
CID 103908490
ethyl 2-[(2-amino-4-bromobenzoyl)-propan-2-ylamino]acetate
CID 79723037
5-bromo-N-butan-2-yl-N-butylpyridine-2-carboxamide
CID 62953059
ethyl 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]-propan-2-ylamino]acetate
CID 61022441
ethyl 2-[(3-bromo-4-methoxybenzoyl)-propan-2-ylamino]acetate
CID 61021807
ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate
CID 55024464
ethyl 2-[1,2-oxazole-5-carbonyl(propan-2-yl)amino]acetate
CID 54896874
ethyl 2-(5-bromopyridine-2-carbonyl)-3-oxobutanoate
CID 155009705
ethyl 2-[(4,5-dibromothiophene-2-carbonyl)-propan-2-ylamino]acetate
CID 54896302

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-bromopyridine-2-carbonyl)-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(5-bromopyridine-2-carbonyl)-propan-2-ylamino]acetate (CID 62958002) is ethyl 2-[(5-bromopyridine-2-carbonyl)-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-bromopyridine-2-carbonyl)-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(5-bromopyridine-2-carbonyl)-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)c1ccc(Br)cn1)C(C)C.
What is the InChIKey of ethyl 2-[(5-bromopyridine-2-carbonyl)-propan-2-ylamino]acetate?
The InChIKey is AIZZLFDNDCJTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-4-19-12(17)8-16(9(2)3)13(18)11-6-5-10(14)7-15-11/h5-7,9H,4,8H2,1-3H3.
What are the key properties of ethyl 2-[(5-bromopyridine-2-carbonyl)-propan-2-ylamino]acetate?
ethyl 2-[(5-bromopyridine-2-carbonyl)-propan-2-ylamino]acetate has a molecular weight of 329.19 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-bromopyridine-2-carbonyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 62958002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).